(2R)-2-{6-[(2R)-oxiran-2-yl]hexyl}oxirane

• ChemBase ID: 137913
• Molecular Formular: C10H18O2
• Molecular Mass: 170.24872
• Monoisotopic Mass: 170.13067982
• SMILES: C1[C@H](O1)CCCCCC[C@@H]1CO1
• Canonical SMILES: C(CC[C@H]1OC1)CCC[C@H]1OC1
• InChI: InChI=1S/C10H18O2/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-10H,1-8H2/t9-,10-/m1/s1
• InChIKey: CFHWRTNORXTUDE-NXEZZACHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{6-[(2R)-oxiran-2-yl]hexyl}oxirane
• IUPAC Traditional name: (2R)-2-{6-[(2R)-oxiran-2-yl]hexyl}oxirane
• Synonyms: (R,R)-(+)-1,2,9,10-Diepoxydecane; (R,R)-(+)-1,2,9,10-二环氧癸烷

Database IDs

• CAS Number: 144741-95-7
• MDL Number: MFCD00798291
• PubChem SID: 162232173; 24871356
• PubChem CID: 16213197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2096553
• LogD (pH = 7.4): 2.2096553
• Log P: 2.2096553
• Molar Refractivity: 47.3724 cm^3
• Polarizability: 19.074621 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95.5 °C/1.7 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.96 g/mL at 25 °C(lit.)
• Optical Rotation: [α]25/D +21°, neat

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H18O2