1-butyl-decahydronaphthalene

• ChemBase ID: 287399
• Molecular Formular: C14H26
• Molecular Mass: 194.35624
• Monoisotopic Mass: 194.20345083
• SMILES: CCCCC1CCCC2CCCCC12
• Canonical SMILES: CCCCC1CCCC2C1CCCC2
• InChI: InChI=1S/C14H26/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h12-14H,2-11H2,1H3
• InChIKey: SVAKAMBIIAHLSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-decahydronaphthalene
• IUPAC Traditional name: 1-butyl-decahydronaphthalene
• Synonyms: 1-Butyl-decahydronaphthalene; 1-butyldecahydroNaphthalene

Database IDs

• CAS Number: 92369-80-7
• PubChem SID: 180672930
• PubChem CID: 145243

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2875867
• LogD (pH = 7.4): 5.2875867
• Log P: 5.2875867
• Molar Refractivity: 62.4546 cm^3
• Polarizability: 25.114124 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%