3-ethenyl-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran

• ChemBase ID: 182056
• Molecular Formular: C20H34O
• Molecular Mass: 290.48336
• Monoisotopic Mass: 290.26096571
• SMILES: C12(C3C(OC(C=C)(CC3)C)(CCC1C(CCC2)(C)C)C)C
• Canonical SMILES: C=CC1(C)CCC2C(O1)(C)CCC1C2(C)CCCC1(C)C
• InChI: InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3
• InChIKey: IGGWKHQYMAJOHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethenyl-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran
• IUPAC Traditional name: 3-ethenyl-3,4a,7,7,10a-pentamethyl-octahydro-1H-naphtho[2,1-b]pyran

Database IDs

• PubChem SID: 164237966
• PubChem CID: 518574

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.498562
• LogD (pH = 7.4): 5.498562
• Log P: 5.498562
• Molar Refractivity: 89.4728 cm^3
• Polarizability: 35.86857 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds