(2E)-1-cyclohexylbut-2-en-1-ol

• ChemBase ID: 295616
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C/C=C/C(C1CCCCC1)O
• Canonical SMILES: C/C=C/C(C1CCCCC1)O
• InChI: InChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6,9-11H,3-5,7-8H2,1H3/b6-2+
• InChIKey: WZIIBXRIIUAFOT-QHHAFSJGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-1-cyclohexylbut-2-en-1-ol
• IUPAC Traditional name: (2E)-1-cyclohexylbut-2-en-1-ol
• Synonyms: 1-Cyclohexyl-2-buten-1-ol; 1-环己基-2-丁烯醇

Database IDs

• CAS Number: 18736-82-8
• MDL Number: MFCD00060819
• PubChem SID: 180681147
• PubChem CID: 5358342

CALCULATED PROPERTIES

• Acid pKa: 18.558306
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.773358
• LogD (pH = 7.4): 2.773358
• Log P: 2.773358
• Molar Refractivity: 48.5127 cm^3
• Polarizability: 18.809866 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: tech. 90%