(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one

3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, (1R,4R,5S)-
3-Oxabicyclo[3.1.0]hexan-2-one, 6,6-dimethyl-4-(tribromomethyl)-, [1R-(1α,4α,5α)]-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ASKVAQUVJBPTBK-MROZADKFSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H9Br3O2/c1-7(2)3-4(7)6(12)13-5(3)8(9,10)11/h3-5H,1-2H3/t3-,4+,5-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	CC1(C)[C@H]2[C@H](C(Br)(Br)Br)OC(=O)[C@H]21
IUPAC name chemrof:IUPAC_name	(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one
Molecular formula chemrof:molecular_formula	C8H9Br3O2
Molecular mass chemrof:molecular_mass	376.87
Monoisotopic mass chemrof:monoisotopic_mass	373.815266
SMILES string chemrof:smiles_string	CC1(C)C2C(=O)OC(C(Br)(Br)Br)C21

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=87305-03-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.121.433	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID00893858	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12525226	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81987789	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
2338a07c-fed7-4853-a08d-69b8ce3cc9d0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
cc28d4c1-f569-4a0a-a2d1-a2ef25a4454d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
382c90f6-c08d-4263-9e08-7f18ca64ea0f	Environmental → Air → Indoor	EF 3.1	kg	4
3b61fb42-156f-471b-a0e7-be4484e7b513	Environmental → Air → Long-term	EF 3.1	kg	0
d5f2cf18-2662-453e-8da7-503c0dca46fc	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
3ecd2586-4e2d-407c-acef-444e6df27599	Environmental → Air → Unknown	EF 3.1	kg	4
0b6a318f-b43b-47bb-918b-90cf486a87cd	Environmental → Ground → Agricultural	EF 3.1	kg	4
5616b849-6a7f-4c1c-b1b3-d7398a35bb60	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
3057ed50-ff75-4324-ae3d-c2d8ae3ba1b9	Environmental → Ground → Unknown	EF 3.1	kg	4
fc33c818-d356-436f-b23a-f01043a8a81f	Environmental → Water → Long-term	EF 3.1	kg	0
7f9b5ebf-c9e1-40c8-98b5-b1f3f3740e84	Environmental → Water → Ocean	EF 3.1	kg	4
ba99c1db-b504-4163-b1be-346ef63a6f1b	Environmental → Water → Surface water	EF 3.1	kg	4
7dd65fe2-3321-4e49-9a4e-8dfa03a96ecd	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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(1r,4r,5s)-6,6-dimethyl-4-(tribromomethyl)-3-oxabicyclo[3.1.0]hexan-2-one

Identity

Structure

Alternative labels

Properties

Known URLs

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