(3R,4S)-3-Methyl-4-(prop-2-en-1-yl)cyclohexan-1-one

HCID 15670663

Notes Reactions

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Basic information

CAS: 86616-82-2
Standard SMILES: C=CC[C@@H]1CCC(=O)C[C@H]1C
InChIKey: BANSMENENAKUEJ-RKDXNWHRSA-N
Molecular formula: C10H16O
Average molar mass: 152.23 g/mol
Monoisotopic mass: 152.12011513

Names & identifiers

Preferred name: (3R,4S)-3-Methyl-4-(prop-2-en-1-yl)cyclohexan-1-one
IUPAC: cis-(3R,4S)-3-methyl-4-prop-2-enylcyclohexan-1-one

Names & synonyms

86616-82-2SCHEMBL10406370(3R,4S)-3-Methyl-4-(prop-2-en-1-yl)cyclohexan-1-oneDTXSID80576652BANSMENENAKUEJ-RKDXNWHRSA-NTrans-3-methyl-4-(2-propenyl)cyclohexanone

Database identifiers

CAS: 86616-82-2
PubChem CID: 15670663
DTXSID: DTXSID80576652

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Related reactions

5 records

New reaction record

HRID 1650065As productuspto-grants-1990_05

HRID 1650066As reactantuspto-grants-1990_05

HRID 1758170As productuspto-grants-1983_02

HRID 1758171As reactantuspto-grants-1983_02

HRID 1762246As productuspto-grants-1989_05

Compound notes

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