(2S,6R,8S)-2,8-dimethyl-6-(prop-1-en-2-yl)tricyclo[4.4.0.02,8]decane

• ChemBase ID: 186036
• Molecular Formular: C15H24
• Molecular Mass: 204.35106
• Monoisotopic Mass: 204.18780077
• SMILES: [C@]12(C3[C@]([C@](C1)(CC3)C)(CCC2)C)C(=C)C
• Canonical SMILES: CC(=C)[C@]12CCC[C@@]3(C2CC[C@]3(C1)C)C
• InChI: InChI=1S/C15H24/c1-11(2)15-8-5-7-14(4)12(15)6-9-13(14,3)10-15/h12H,1,5-10H2,2-4H3/t12?,13-,14+,15-/m0/s1
• InChIKey: MTBNHGFRLZSOTC-DKUMPPAJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,6R,8S)-2,8-dimethyl-6-(prop-1-en-2-yl)tricyclo[4.4.0.0^2,^8]decane
• IUPAC Traditional name: (2S,6R,8S)-2,8-dimethyl-6-(prop-1-en-2-yl)tricyclo[4.4.0.0^2,^8]decane

Database IDs

• PubChem SID: 164241946
• PubChem CID: 71753102

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.17212
• LogD (pH = 7.4): 4.17212
• Log P: 4.17212
• Molar Refractivity: 64.5484 cm^3
• Polarizability: 25.986029 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds