2,4a,5,8a-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl formate

• ChemBase ID: 180866
• Molecular Formular: C15H24O2
• Molecular Mass: 236.34986
• Monoisotopic Mass: 236.17763001
• SMILES: C12(C(C(C(CC2)C)OC=O)(CCC=C1C)C)C
• Canonical SMILES: O=COC1C(C)CCC2(C1(C)CCC=C2C)C
• InChI: InChI=1S/C15H24O2/c1-11-7-9-14(3)12(2)6-5-8-15(14,4)13(11)17-10-16/h6,10-11,13H,5,7-9H2,1-4H3
• InChIKey: DAWDTDPJINNEJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4a,5,8a-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl formate
• IUPAC Traditional name: 2,4a,5,8a-tetramethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl formate

Database IDs

• PubChem SID: 164236776
• PubChem CID: 103377

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.674984
• LogD (pH = 7.4): 3.674984
• Log P: 3.674984
• Molar Refractivity: 69.0999 cm^3
• Polarizability: 27.423426 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds