2,2-dichloro-3,3-diethoxypropan-1-ol

C7H14Cl2O3 — CID 10998456

IUPAC2,2-dichloro-3,3-diethoxypropan-1-ol
SMILESCCOC(OCC)C(Cl)(Cl)CO
InChIInChI=1S/C7H14Cl2O3/c1-3-11-6(12-4-2)7(8,9)5-10/h6,10H,3-5H2,1-2H3
InChIKeyIEWJJWIPPJVBNM-UHFFFAOYSA-N
MW217.09 g/mol
LogP1.55
Rot. Bonds6

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

2,2-dichloro-3,3-diethoxypropan-1-ol (PubChem CID 10998456) has the molecular formula C7H14Cl2O3 and a molecular weight of 217.09 g/mol. Its IUPAC name is 2,2-dichloro-3,3-diethoxypropan-1-ol.

Molecular Properties

Compound Name2,2-dichloro-3,3-diethoxypropan-1-ol
PubChem CID10998456
Molecular FormulaC7H14Cl2O3
Molecular Weight217.09 g/mol
Exact Mass216.03
IUPAC Name2,2-dichloro-3,3-diethoxypropan-1-ol
SMILESCCOC(OCC)C(Cl)(Cl)CO
InChIInChI=1S/C7H14Cl2O3/c1-3-11-6(12-4-2)7(8,9)5-10/h6,10H,3-5H2,1-2H3
InChIKeyIEWJJWIPPJVBNM-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 51.55
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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Related Compounds

1-bromo-1,1-dichloro-2,2-diethoxyethane
CID 169435005
ethyl 2,2-dichloro-3,3-diethoxypropanoate
CID 14926947
1-ethoxy-2,2-bis(hydroxymethyl)propane-1,3-diol
CID 135188098
2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
CID 18426421
ethoxyethane;tetrachloromethane
CID 87294863
chloroform;ethanol;ethoxyethane
CID 87752781
1,1-diethoxy-3-trimethylsilyl-2-(trimethylsilylmethyl)propan-2-ol
CID 10828514
ethanol;tetrachloromethane
CID 23446399
1,1,1-trichloro-4,4-diethoxybutan-2-one
CID 131860335
2,2-dichloroethanol;ethoxyethane
CID 22662862
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
(dichloromethane);2,2,3,3-tetrachloropropan-1-ol
CID 172996538

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3,3-diethoxypropan-1-ol?
The IUPAC name of 2,2-dichloro-3,3-diethoxypropan-1-ol (CID 10998456) is 2,2-dichloro-3,3-diethoxypropan-1-ol.
What is the SMILES notation for 2,2-dichloro-3,3-diethoxypropan-1-ol?
The canonical SMILES for 2,2-dichloro-3,3-diethoxypropan-1-ol is CCOC(OCC)C(Cl)(Cl)CO.
What is the InChIKey of 2,2-dichloro-3,3-diethoxypropan-1-ol?
The InChIKey is IEWJJWIPPJVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O3/c1-3-11-6(12-4-2)7(8,9)5-10/h6,10H,3-5H2,1-2H3.
What are the key properties of 2,2-dichloro-3,3-diethoxypropan-1-ol?
2,2-dichloro-3,3-diethoxypropan-1-ol has a molecular weight of 217.09 g/mol, XLogP of 1.55, 6 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-diethoxypropan-1-ol is sourced from PubChem (CID 10998456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).