2,4,4-Trimethyl-6-oxocyclohex-1-en-1-yl acetate

HCID 240397

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Basic information

CAS: 17304-81-3
Standard SMILES: CC(=O)OC1=C(C)CC(C)(C)CC1=O
InChIKey: OLNFIEWAZMYSST-UHFFFAOYSA-N
Molecular formula: C11H16O3
Average molar mass: 196.24 g/mol
Monoisotopic mass: 196.10994437

Names & identifiers

Preferred name: 2,4,4-Trimethyl-6-oxocyclohex-1-en-1-yl acetate
IUPAC: (2,4,4-trimethyl-6-oxocyclohexen-1-yl) acetate
English name: (2,4,4-trimethyl-6-oxo-1-cyclohexenyl) acetate
Molecular formula: C11H16O3
Molecular weight: 0

Names & synonyms

17304-81-32,4,4-trimethyl-6-oxocyclohex-1-en-1-yl acetate(2,4,4-trimethyl-6-oxocyclohexen-1-yl) acetateNSC46568(2,4,4-TRIMETHYL-6-OXO-1-CYCLOHEXENYL) ACETATESCHEMBL30229482DTXSID50286579NSC-46568

Database identifiers

CAS: 17304-81-3
PubChem CID: 240397
DTXSID: DTXSID50286579

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 310

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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