(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)acetic acid

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Basic information

CAS: 5323-89-7
Standard SMILES: CC1(C)C2CCC(CC(=O)O)C1C2
InChIKey: GEVYGCFPYCDBEW-UHFFFAOYSA-N
Molecular formula: C11H18O2
Average molar mass: 182.26 g/mol
Monoisotopic mass: 182.13067981

Names & identifiers

Preferred name: (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)acetic acid
IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)acetic acid

Names & synonyms

5323-89-72-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)acetic acid2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}acetic acid(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acetic acidNSC2828SCHEMBL1786883DTXSID202775552-Norpinaneacetic acid,6-dimethyl-NSC 2828NSC-2828EN300-1865505Bicyclo[3.1.1]heptane-2-acetic acid,6-dimethyl-

Show more names

(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)acetic acid

Database identifiers

CAS: 5323-89-7
PubChem CID: 220294
DTXSID: DTXSID20277555

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 232

Related reactions

3 records

New reaction record

HRID 935020As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1227748As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2342285As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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