4-propylhept-1-en-4-ol

• ChemBase ID: 295608
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCC(CCC)(CC=C)O
• Canonical SMILES: CCCC(CC=C)(CCC)O
• InChI: InChI=1S/C10H20O/c1-4-7-10(11,8-5-2)9-6-3/h4,11H,1,5-9H2,2-3H3
• InChIKey: RLUDGGHEFUDPLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylhept-1-en-4-ol
• IUPAC Traditional name: 4-propylhept-1-en-4-ol
• Synonyms: Allyl di-n-propyl carbinol; 4-n-Propyl-1-hepten-4-ol; 4-正丙基-1-庚基-4-醇

Database IDs

• CAS Number: 62108-07-0
• EC Number: 263-409-5
• MDL Number: MFCD00049206
• PubChem SID: 180681139
• PubChem CID: 551382

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1326675
• LogD (pH = 7.4): 3.1326678
• Log P: 3.1326678
• Molar Refractivity: 49.486 cm^3
• Polarizability: 19.548393 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%