1,3,5-tris(propan-2-yl)cyclohexane

• ChemBase ID: 138077
• Molecular Formular: C15H30
• Molecular Mass: 210.3987
• Monoisotopic Mass: 210.23475096
• SMILES: CC(C)C1CC(CC(C1)C(C)C)C(C)C
• Canonical SMILES: CC(C1CC(CC(C1)C(C)C)C(C)C)C
• InChI: InChI=1S/C15H30/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-15H,7-9H2,1-6H3
• InChIKey: NPNNVCRGZWDXKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-tris(propan-2-yl)cyclohexane
• IUPAC Traditional name: 1,3,5-triisopropylcyclohexane
• Synonyms: 1,3,5-Triisopropylcyclohexane,mixture of isomers; 1,3,5-三异丙基环己烷（异构体混合物）

Database IDs

• CAS Number: 34387-60-5
• MDL Number: MFCD00001485
• PubChem SID: 162232335
• PubChem CID: 4583934

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7232327
• LogD (pH = 7.4): 5.7232327
• Log P: 5.7232327
• Molar Refractivity: 68.7006 cm^3
• Polarizability: 27.70563 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C15H30

DETAILS

Sigma Aldrich - 227943

Application
Useful for calorimetric heat of immersion studies.