Basic information
- Standard SMILES
C=CCCCCC1CCC(CC)(CC(=O)OC)c2[nH]c3c(CC)cccc3c21- InChIKey
AJUVPZRDXYSLGB-UHFFFAOYSA-N- Molecular formula
- C25H35NO2
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 1,8-diethyl-4-(5-hexenyl)-2,3,4,9-tetrahydro-1H-carbazole-1-acetic acid methyl ester
- IUPAC
- methyl 2-(1,8-diethyl-4-hex-5-enyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
Names & synonyms
SCHEMBL9759185AJUVPZRDXYSLGB-UHFFFAOYSA-N1,8-diethyl-4-(5-hexenyl)-2,3,4,9-tetrahydro-1H-carbazole-1 -acetic acid methyl ester1,8-diethyl-4-(5-hexenyl)-2,3,4,9-tetrahydro-1H-carbazole-1-acetic acid methyl ester
Database identifiers
- PubChem CID
- 14649909
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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