2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate

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Basic information

CAS: 14087-09-3
Standard SMILES: CC(=O)OCCC1CCC2CC1C2(C)C
InChIKey: UZGHWQCIIVCZLR-UHFFFAOYSA-N
Molecular formula: C13H22O2
Average molar mass: 210.31 g/mol
Monoisotopic mass: 210.16197994

Overview

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Names & identifiers

Preferred name: 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetate
IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl acetate
English name: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl acetate
Molecular formula: C13H22O2
Molecular weight: 210.31258

Names & synonyms

14087-09-32-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethyl acetateEINECS 237-932-4DTXSID90930928UZGHWQCIIVCZLR-UHFFFAOYSA-NNS000522392-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl acetate6,6-Dimethylbicyclo[3.1.1]heptane-2-ethanol acetate2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl acetate2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl acetate

Database identifiers

CAS: 14087-09-3
PubChem CID: 85678
DTXSID: DTXSID90930928
EC Number: 237-932-4
Nikkaji: J216.860J

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 257

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