trans-3-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-5-methyl-cyclohexanone

HCID 70530367
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCC(C)(C)c1ccc([C@@H]2CC(=O)C[C@@H](C)C2)c(O)c1
InChIKey
FIFIDISWLGOZEV-IRXDYDNUSA-N
Molecular formula
C22H34O2
Average molar mass
330.5 g/mol

Names & identifiers

Preferred name
trans-3-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-5-methyl-cyclohexanone
IUPAC
trans-(3S,5S)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-methylcyclohexan-1-one

Names & synonyms

SCHEMBL11172177FIFIDISWLGOZEV-IRXDYDNUSA-Ntrans-3-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]-5-methyl-cyclohexanone

Database identifiers

PubChem CID
70530367

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

Loading…