(2-methylprop-2-en-1-yl)cyclopentane

• ChemBase ID: 112650
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: CC(=C)CC1CCCC1
• Canonical SMILES: CC(=C)CC1CCCC1
• InChI: InChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h9H,1,3-7H2,2H3
• InChIKey: AYPUQHOHNKLMOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylprop-2-en-1-yl)cyclopentane
• IUPAC Traditional name: (2-methylprop-2-en-1-yl)cyclopentane
• Synonyms: 2-METHYL-3-CYCLOPENTYL-1-PROPENE; 3-Cyclopentyl-2-methyl-1-propene; Methallylcyclopentane; 甲烯丙基环戊烷

Database IDs

• CAS Number: 219726-61-1
• MDL Number: MFCD00045430
• PubChem SID: 162097956
• PubChem CID: 548977

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.338373
• LogD (pH = 7.4): 3.338373
• Log P: 3.338373
• Molar Refractivity: 41.0817 cm^3
• Polarizability: 16.394049 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05225163

MP Biomedicals Rare Chemical collection