2-butyl-1,3,2-dioxaborinane

• ChemBase ID: 149007
• Molecular Formular: C7H15BO2
• Molecular Mass: 142.0038
• Monoisotopic Mass: 142.11651012
• SMILES: B1(OCCCO1)CCCC
• Canonical SMILES: CCCCB1OCCCO1
• InChI: InChI=1S/C7H15BO2/c1-2-3-5-8-9-6-4-7-10-8/h2-7H2,1H3
• InChIKey: UDMVQMMUSQGSDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-1,3,2-dioxaborinane
• IUPAC Traditional name: 2-butyl-1,3,2-dioxaborinane
• Synonyms: 2-Butyl-1,3,2-dioxaborinane; 2-丁基-1,3,2-二氧杂硼烷

Database IDs

• CAS Number: 30169-71-2
• MDL Number: MFCD00013363
• PubChem SID: 162243176
• PubChem CID: 286985

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.501
• LogD (pH = 7.4): 2.501
• Log P: 2.501
• Molar Refractivity: 36.5725 cm^3
• Polarizability: 16.2619 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C7H15BO2