(S,S)-3-n-butyl-5-methylcyclohexanone

HCID 57009484
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Basic information

Standard SMILES
CCCC[C@@H]1CC(=O)C[C@@H](C)C1
InChIKey
LHRQCMMUTUBJTL-UWVGGRQHSA-N
Molecular formula
C11H20O
Average molar mass
168.28 g/mol

Names & identifiers

Preferred name
(S,S)-3-n-butyl-5-methylcyclohexanone
IUPAC
trans-(3S,5S)-3-butyl-5-methylcyclohexan-1-one

Names & synonyms

SCHEMBL9680233LHRQCMMUTUBJTL-UWVGGRQHSA-N(S,S)-3-n-butyl-5-methylcyclohexanone

Database identifiers

PubChem CID
57009484

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12

Related reactions

1 records
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Compound notes

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