5-[3-(1-ethoxyethoxy)-3-methyl-4-penten-1-ynyl]-2,4,6,6-tetramethyl-5,6,7,7a-tetrahydro-1,3-benzodioxol-5-ol

1,3-Benzodioxol-5-ol, 5-[3-(1-ethoxyethoxy)-3-methyl-4-penten-1-yn-1-yl]-5,6,7,7a-tetrahydro-2,4,6,6-tetramethyl-
1,3-Benzodioxol-5-ol, 5-[3-(1-ethoxyethoxy)-3-methyl-4-penten-1-ynyl]-5,6,7,7a-tetrahydro-2,4,6,6-tetramethyl-
5-[3-(1-Ethoxyethoxy)-3-methyl-4-penten-1-yn-1-yl]-5,6,7,7a-tetrahydro-2,4,6,6-tetramethyl-1,3-benzodioxol-5-ol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RZEIWRMMULENKX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C21H32O5/c1-9-20(8,26-15(4)23-10-2)11-12-21(22)14(3)18-17(13-19(21,6)7)24-16(5)25-18/h9,15-17,22H,1,10,13H2,2-8H3
IUPAC name chemrof:IUPAC_name	5-[3-(1-ethoxyethoxy)-3-methyl-4-penten-1-ynyl]-2,4,6,6-tetramethyl-5,6,7,7a-tetrahydro-1,3-benzodioxol-5-ol
Molecular formula chemrof:molecular_formula	C21H32O5
Molecular mass chemrof:molecular_mass	364.482
Monoisotopic mass chemrof:monoisotopic_mass	364.224974
SMILES string chemrof:smiles_string	C=CC(C)(C#CC1(O)C(C)=C2OC(C)OC2CC1(C)C)OC(C)OCC

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=162691-59-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.107.224	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID401025594	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.759.159I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11132254	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q126611127	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
e4d1f797-c08b-40b2-ac4d-26eb230a6f5c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8c710a84-8413-4d08-957a-475782d9b36b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
485acd75-db0a-4eea-b8aa-bc90017b58ba	Environmental → Air → Indoor	EF 3.1	kg	2
8a9651bb-b241-401a-9d85-4eb25aa65533	Environmental → Air → Long-term	EF 3.1	kg	0
23439cb9-e042-448f-b3c5-7eeffb330b55	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d9cc6f9c-3311-485e-b1f3-dc7ff08c9e3a	Environmental → Air → Unknown	EF 3.1	kg	2
316b3dbe-4349-406a-a358-62759aaf43a6	Environmental → Ground → Agricultural	EF 3.1	kg	2
0cfbbce6-dc56-49e9-98be-7df8507ce5ef	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2208a963-6d46-4d3b-a042-c8f189d622c2	Environmental → Ground → Unknown	EF 3.1	kg	2
4a06b5a5-5366-482a-9032-aeb24e87995c	Environmental → Water → Long-term	EF 3.1	kg	0
e1984bed-5b20-4197-adc7-e2a292da4e77	Environmental → Water → Ocean	EF 3.1	kg	2
819902a3-a571-4736-a2e4-dffb007a4e24	Environmental → Water → Surface water	EF 3.1	kg	2
959edfca-deab-49c8-a48b-5edbc335c56a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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5-[3-(1-ethoxyethoxy)-3-methyl-4-penten-1-ynyl]-2,4,6,6-tetramethyl-5,6,7,7a-tetrahydro-1,3-benzodioxol-5-ol

Identity

Structure

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