(2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane

• ChemBase ID: 185621
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: C1(=C)[C@@]2(C3[C@@H](C1CC3)C(CCC2)(C)C)C
• Canonical SMILES: C=C1C2CCC3[C@]1(C)CCCC([C@H]23)(C)C
• InChI: InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12?,13-,15+/m0/s1
• InChIKey: PDSNLYSELAIEBU-NSOJWWLLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^2,^9]undecane
• IUPAC Traditional name: (2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^2,^9]undecane

Database IDs

• PubChem SID: 164241531
• PubChem CID: 16396350

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.159092
• LogD (pH = 7.4): 4.159092
• Log P: 4.159092
• Molar Refractivity: 64.6219 cm^3
• Polarizability: 25.986029 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds