1-chloro-5,8-dimethyl-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 244243
• Molecular Formular: C12H15Cl
• Molecular Mass: 194.7005
• Monoisotopic Mass: 194.08622816
• SMILES: c12c(c(ccc1C)C)CCCC2Cl
• Canonical SMILES: ClC1CCCc2c1c(C)ccc2C
• InChI: InChI=1S/C12H15Cl/c1-8-6-7-9(2)12-10(8)4-3-5-11(12)13/h6-7,11H,3-5H2,1-2H3
• InChIKey: ABHWZPXHFMHKAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-5,8-dimethyl-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 5-chloro-1,4-dimethyl-5,6,7,8-tetrahydronaphthalene
• Synonyms: 1-chloro-5,8-dimethyl-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD11590909
• PubChem SID: 164300153
• PubChem CID: 62736735

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5761237
• LogD (pH = 7.4): 4.5761237
• Log P: 4.5761237
• Molar Refractivity: 58.1891 cm^3
• Polarizability: 22.232883 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.895

Product Information

• Purity: 95%