2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene

• ChemBase ID: 119356
• Molecular Formular: C19H32
• Molecular Mass: 260.45738
• Monoisotopic Mass: 260.25040102
• SMILES: C1(=C(CCCC1(C)C)C)CCC(=C=CCC(C)C)C
• Canonical SMILES: CC(CC=C=C(CCC1=C(C)CCCC1(C)C)C)C
• InChI: InChI=1S/C19H32/c1-15(2)9-7-10-16(3)12-13-18-17(4)11-8-14-19(18,5)6/h7,15H,8-9,11-14H2,1-6H3
• InChIKey: XFSRTNQYXZYRGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene
• IUPAC Traditional name: 2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene
• Synonyms: 2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene

Database IDs

• PubChem SID: 162107538
• PubChem CID: 1742258

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4520717
• LogD (pH = 7.4): 6.4520717
• Log P: 6.4520717
• Molar Refractivity: 88.1452 cm^3
• Polarizability: 34.079517 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds