3,7,11-trimethyldodec-1-ene

• ChemBase ID: 111939
• Molecular Formular: C15H30
• Molecular Mass: 210.3987
• Monoisotopic Mass: 210.23475096
• SMILES: CC(C)CCCC(C)CCCC(C)C=C
• Canonical SMILES: C=CC(CCCC(CCCC(C)C)C)C
• InChI: InChI=1S/C15H30/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,13-15H,1,7-12H2,2-5H3
• InChIKey: YRTZHYFUDNIOGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7,11-trimethyldodec-1-ene
• IUPAC Traditional name: 3,7,11-trimethyldodec-1-ene
• Synonyms: 3,7,11-TRIMETHYL-1-DODECENE

Database IDs

• PubChem SID: 162106598
• PubChem CID: 528443

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.355619
• LogD (pH = 7.4): 6.355619
• Log P: 6.355619
• Molar Refractivity: 70.7041 cm^3
• Polarizability: 28.22312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05221800

MP Biomedicals Rare Chemical collection