1,1-dichloroethane-1,2-diol

C2H4Cl2O2 — CID 18924118

IUPAC1,1-dichloroethane-1,2-diol
SMILESOCC(O)(Cl)Cl
InChIInChI=1S/C2H4Cl2O2/c3-2(4,6)1-5/h5-6H,1H2
InChIKeyZOZPDNLNQWCVSW-UHFFFAOYSA-N
MW130.96 g/mol
LogP0.10
Rot. Bonds1

About 1,1-dichloroethane-1,2-diol

1,1-dichloroethane-1,2-diol (PubChem CID 18924118) has the molecular formula C2H4Cl2O2 and a molecular weight of 130.96 g/mol. Its IUPAC name is 1,1-dichloroethane-1,2-diol.

Molecular Properties

Compound Name1,1-dichloroethane-1,2-diol
PubChem CID18924118
Molecular FormulaC2H4Cl2O2
Molecular Weight130.96 g/mol
Exact Mass129.96
IUPAC Name1,1-dichloroethane-1,2-diol
SMILESOCC(O)(Cl)Cl
InChIInChI=1S/C2H4Cl2O2/c3-2(4,6)1-5/h5-6H,1H2
InChIKeyZOZPDNLNQWCVSW-UHFFFAOYSA-N
XLogP0.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.96
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,1-dichloroethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloroethanol
CID 8259
azane;2,2,2-trichloroethanol
CID 87325391
1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
ethane-1,1,1,2-tetrol
CID 22259953
(dichloromethane);2,2-dichloropropane-1,3-diol
CID 173248900
2-amino-2,2-dichloroethanol;hydrochloride
CID 173208337
ethanol;tetrachloromethane
CID 23446399
alumane;2,2-dimethylpropan-1-ol
CID 174479314
ethanol;1,1,1-trichloro-2-methylpropan-2-ol
CID 88520604
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
(2S,3S)-2,3-dimethylbutane-1,2,3,4-tetrol
CID 130718714

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethane-1,2-diol?
The IUPAC name of 1,1-dichloroethane-1,2-diol (CID 18924118) is 1,1-dichloroethane-1,2-diol.
What is the SMILES notation for 1,1-dichloroethane-1,2-diol?
The canonical SMILES for 1,1-dichloroethane-1,2-diol is OCC(O)(Cl)Cl.
What is the InChIKey of 1,1-dichloroethane-1,2-diol?
The InChIKey is ZOZPDNLNQWCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O2/c3-2(4,6)1-5/h5-6H,1H2.
What are the key properties of 1,1-dichloroethane-1,2-diol?
1,1-dichloroethane-1,2-diol has a molecular weight of 130.96 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethane-1,2-diol is sourced from PubChem (CID 18924118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).