1,3-dichloro-2-(methoxymethoxy)(2H5)propane

• ChemBase ID: 167081
• Molecular Formular: C5H10Cl2O2
• Molecular Mass: 173.0377
• Monoisotopic Mass: 172.00578492
• SMILES: C(C(CCl)OCOC)Cl
• Canonical SMILES: ClCC(OCOC)CCl
• InChI: InChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
• InChIKey: GEGJQMIXBNYSQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-2-(methoxymethoxy)(^2H₅)propane
• IUPAC Traditional name: 1,3-dichloro-2-(methoxymethoxy)(^2H₅)propane
• Synonyms: [2-Chloro-1-(chloromethyl)ethoxy]methoxymethane-d5; 1,3-Dichloro-2-(methoxymethoxy)propane-d5

Database IDs

• CAS Number: 1189863-31-7
• PubChem SID: 162261214
• PubChem CID: 45038967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5764216
• LogD (pH = 7.4): 1.5764216
• Log P: 1.5764216
• Molar Refractivity: 37.2223 cm^3
• Polarizability: 15.124311 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Clear Oil