2,2-dichloro-3,3-dimethoxypropan-1-ol

C5H10Cl2O3 — CID 130662914

IUPAC2,2-dichloro-3,3-dimethoxypropan-1-ol
SMILESCOC(OC)C(Cl)(Cl)CO
InChIInChI=1S/C5H10Cl2O3/c1-9-4(10-2)5(6,7)3-8/h4,8H,3H2,1-2H3
InChIKeyMSPKUFLOJSJVEX-UHFFFAOYSA-N
MW189.04 g/mol
LogP0.77
Rot. Bonds4

About 2,2-dichloro-3,3-dimethoxypropan-1-ol

2,2-dichloro-3,3-dimethoxypropan-1-ol (PubChem CID 130662914) has the molecular formula C5H10Cl2O3 and a molecular weight of 189.04 g/mol. Its IUPAC name is 2,2-dichloro-3,3-dimethoxypropan-1-ol.

Molecular Properties

Compound Name2,2-dichloro-3,3-dimethoxypropan-1-ol
PubChem CID130662914
Molecular FormulaC5H10Cl2O3
Molecular Weight189.04 g/mol
Exact Mass188.00
IUPAC Name2,2-dichloro-3,3-dimethoxypropan-1-ol
SMILESCOC(OC)C(Cl)(Cl)CO
InChIInChI=1S/C5H10Cl2O3/c1-9-4(10-2)5(6,7)3-8/h4,8H,3H2,1-2H3
InChIKeyMSPKUFLOJSJVEX-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3,3-dimethoxypropan-1-ol?
The IUPAC name of 2,2-dichloro-3,3-dimethoxypropan-1-ol (CID 130662914) is 2,2-dichloro-3,3-dimethoxypropan-1-ol.
What is the SMILES notation for 2,2-dichloro-3,3-dimethoxypropan-1-ol?
The canonical SMILES for 2,2-dichloro-3,3-dimethoxypropan-1-ol is COC(OC)C(Cl)(Cl)CO.
What is the InChIKey of 2,2-dichloro-3,3-dimethoxypropan-1-ol?
The InChIKey is MSPKUFLOJSJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O3/c1-9-4(10-2)5(6,7)3-8/h4,8H,3H2,1-2H3.
What are the key properties of 2,2-dichloro-3,3-dimethoxypropan-1-ol?
2,2-dichloro-3,3-dimethoxypropan-1-ol has a molecular weight of 189.04 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3,3-dimethoxypropan-1-ol is sourced from PubChem (CID 130662914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).