(3s,6r)-3-ethyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 182843
• Molecular Formular: C14H24O2
• Molecular Mass: 224.33916
• Monoisotopic Mass: 224.17763001
• SMILES: [C@@]12(C(C=C(CC1C)C)C)CO[C@@H](OC2)CC
• Canonical SMILES: CC[C@@H]1OC[C@]2(CO1)C(C)CC(=CC2C)C
• InChI: InChI=1S/C14H24O2/c1-5-13-15-8-14(9-16-13)11(3)6-10(2)7-12(14)4/h6,11-13H,5,7-9H2,1-4H3/t11?,12?,13-,14-
• InChIKey: IWBFEUOOZQXQEZ-XTWLIDDBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3s,6r)-3-ethyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: (3s,6r)-3-ethyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164238753
• PubChem CID: 3726191

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2396488
• LogD (pH = 7.4): 3.2396488
• Log P: 3.2396488
• Molar Refractivity: 66.3289 cm^3
• Polarizability: 26.201612 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds