Basic information
- CAS
67031-63-4- Standard SMILES
COc1cc(C(=O)OCCN2CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2)cc(OC)c1OC- InChIKey
SJPHNVRIVFJQPR-UHFFFAOYSA-N- Molecular formula
- C31H48N2O5
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.35632264
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester
- IUPAC
- 2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
- English name
- 2-[4-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl]ethyl=3,4,5-trimethoxybenzoate
- Molecular formula
- C31H48N2O5
- Molecular weight
- 528.72
Names & synonyms
Benzoic acid, 3,4,5-trimethoxy-, (2-(4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl)ethyl) ester67031-63-4RefChem:1078998BRN 08670913,4,5-Trimethoxybenzoic acid, (2-(4-farnesyl-1-piperazinyl)ethyl)ester2-[4-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1-piperazinyl]ethyl=3,4,5-trimethoxybenzoateBenzoic acid, 3,4,5-trimethoxy-, 2-[4-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)-1-piperazinyl]ethyl ester
Database identifiers
- CAS
67031-63-4- PubChem CID
- 6434945
- Nikkaji
- J87.858H
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 767
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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