1,5,5-trimethyl-3-methylidenecyclohex-1-ene

• ChemBase ID: 112656
• Molecular Formular: C10H16
• Molecular Mass: 136.23404
• Monoisotopic Mass: 136.12520051
• SMILES: CC1=CC(=C)CC(C)(C)C1
• Canonical SMILES: CC1=CC(=C)CC(C1)(C)C
• InChI: InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5H,1,6-7H2,2-4H3
• InChIKey: ZKXYHQFGFMZPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5,5-trimethyl-3-methylidenecyclohex-1-ene
• IUPAC Traditional name: 1,5,5-trimethyl-3-methylidenecyclohex-1-ene
• Synonyms: 3-METHYLENE 1,5,5-TRIMETHYL CYCLOHEXENE-1

Database IDs

• CAS Number: 16609-28-2
• PubChem SID: 162097387
• PubChem CID: 140110

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0752912
• LogD (pH = 7.4): 3.0752912
• Log P: 3.0752912
• Molar Refractivity: 46.3544 cm^3
• Polarizability: 18.013159 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225191

MP Biomedicals Rare Chemical collection