decahydronaphthalen-2-yl formate

• ChemBase ID: 110141
• Molecular Formular: C11H18O2
• Molecular Mass: 182.25942
• Monoisotopic Mass: 182.13067982
• SMILES: C1CCC2CC(CCC2C1)OC=O
• Canonical SMILES: O=COC1CCC2C(C1)CCCC2
• InChI: InChI=1S/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2
• InChIKey: NMFWOBQDDWFAAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydronaphthalen-2-yl formate
• IUPAC Traditional name: decahydronaphthalen-2-yl formate
• Synonyms: DECAHYDRO-β-NAPHTHYL FORMATE

Database IDs

• CAS Number: 10519-12-7
• PubChem SID: 162095945
• PubChem CID: 25325

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6725698
• LogD (pH = 7.4): 2.6725698
• Log P: 2.6725698
• Molar Refractivity: 50.4335 cm^3
• Polarizability: 20.296827 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213894

MP Biomedicals Rare Chemical collection