(2-heptylcyclopentylidene)amino 2,2-dimethylpropanoate

• ChemBase ID: 79444
• Molecular Formular: C17H31NO2
• Molecular Mass: 281.43354
• Monoisotopic Mass: 281.23547924
• SMILES: N(=C\1/C(CCC1)CCCCCCC)\OC(=O)C(C)(C)C
• Canonical SMILES: CCCCCCCC1CCC/C/1=N\OC(=O)C(C)(C)C
• InChI: InChI=1S/C17H31NO2/c1-5-6-7-8-9-11-14-12-10-13-15(14)18-20-16(19)17(2,3)4/h14H,5-13H2,1-4H3
• InChIKey: CGHXVRXFCNGJHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-heptylcyclopentylidene)amino 2,2-dimethylpropanoate
• IUPAC Traditional name: (2-heptylcyclopentylidene)amino 2,2-dimethylpropanoate
• Synonyms: 1-(2-{[(2,2-dimethylpropanoyl)oxy]imino}cyclopentyl)heptane

Database IDs

• MDL Number: MFCD00100011
• PubChem SID: 162044207
• PubChem CID: 5708547

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.205718
• LogD (pH = 7.4): 6.20593
• Log P: 6.205933
• Molar Refractivity: 82.5025 cm^3
• Polarizability: 32.80384 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false