9-(2,3,4,6-Tetramethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester

HCID 54530113

Basic information

Standard SMILES
CCCCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(C)c(C)c1C
InChIKey
YVXLYWIFNQLDJR-UHFFFAOYSA-N
Molecular formula
C25H34O2
Average molar mass
366.5 g/mol

Names & identifiers

Preferred name
9-(2,3,4,6-Tetramethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester
IUPAC
butyl 3,7-dimethyl-9-(2,3,4,6-tetramethylphenyl)nona-2,4,6,8-tetraenoate

Names & synonyms

SCHEMBL10752387YVXLYWIFNQLDJR-UHFFFAOYSA-N9-(2,3,4,6-tetramethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester9-(2,3,4,6-tetramethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid butyl ester

Database identifiers

PubChem CID
54530113

Properties

Computed structural properties

XLogP
8.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
27

Related reactions

6 records

Compound notes

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