9-(2,6,6-Trimethylcyclohex-1-en-1-yl)nonanoic acid

HCID 71089628
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Basic information

Standard SMILES
CC1=C(CCCCCCCCC(=O)O)C(C)(C)CCC1
InChIKey
LMMRBBYYUIBMHI-UHFFFAOYSA-N
Molecular formula
C18H32O2
Average molar mass
280.4 g/mol

Names & identifiers

Preferred name
9-(2,6,6-Trimethylcyclohex-1-en-1-yl)nonanoic acid
IUPAC
9-(2,6,6-trimethylcyclohexen-1-yl)nonanoic acid

Names & synonyms

SCHEMBL14157557LMMRBBYYUIBMHI-UHFFFAOYSA-N9-(2,6,6-trimethylcyclohex-1-en-1-yl)nonanoic acid

Database identifiers

PubChem CID
71089628

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
20

Related reactions

1 records
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Compound notes

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