1,1,3,3,5-pentamethyl-2,3-dihydro-1H-indene

• ChemBase ID: 112175
• Molecular Formular: C14H20
• Molecular Mass: 188.3086
• Monoisotopic Mass: 188.15650064
• SMILES: Cc1ccc2c(c1)C(C)(C)CC2(C)C
• Canonical SMILES: Cc1ccc2c(c1)C(C)(C)CC2(C)C
• InChI: InChI=1S/C14H20/c1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3/h6-8H,9H2,1-5H3
• InChIKey: NNXHDILUOAXSPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3,5-pentamethyl-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1,1,3,3,5-pentamethyl-2H-indene
• Synonyms: 1,1,3,3,5-PENTAMETHYL INDANE

Database IDs

• CAS Number: 81-03-8
• PubChem SID: 162097283
• PubChem CID: 66469

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.668485
• LogD (pH = 7.4): 4.668485
• Log P: 4.668485
• Molar Refractivity: 62.027798 cm^3
• Polarizability: 24.171648 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222821

MP Biomedicals Rare Chemical collection