2-chloro-1,1-diethoxyethane

C6H13ClO2 — CID 12128

IUPAC2-chloro-1,1-diethoxyethane
SMILESCCOC(CCl)OCC
InChIInChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChIKeyOVXJWSYBABKZMD-UHFFFAOYSA-N
MW152.62 g/mol
LogP1.62
Rot. Bonds5

About 2-chloro-1,1-diethoxyethane

2-chloro-1,1-diethoxyethane (PubChem CID 12128) has the molecular formula C6H13ClO2 and a molecular weight of 152.62 g/mol. Its IUPAC name is 2-chloro-1,1-diethoxyethane.

Molecular Properties

Compound Name2-chloro-1,1-diethoxyethane
PubChem CID12128
Molecular FormulaC6H13ClO2
Molecular Weight152.62 g/mol
Exact Mass152.06
IUPAC Name2-chloro-1,1-diethoxyethane
SMILESCCOC(CCl)OCC
InChIInChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChIKeyOVXJWSYBABKZMD-UHFFFAOYSA-N
XLogP1.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Bis(2-chloroethoxy)methane
CID 8147
1,1-Dichloro-2,2-diethoxyethane
CID 12080
3-Chloro-1,1-diethoxypropane
CID 96217
2-Chloro-1,1-dimethoxyethane
CID 60986
1,1-Bis(2-chloroethoxy)ethane
CID 236453
2,4,6-Tris(chloromethyl)-1,3,5-trioxane
CID 70794
Ethane, 1,1',1''-[methylidynetris(oxy)]tris[2-chloro-
CID 87761
2-Chloro-1,1,3-triethoxypropane
CID 95548
2-Chloro-1,1,1-triethoxyethane
CID 305922
Ethane, 2-chloro-1,1-bis(2-chloroethoxy)-
CID 94993
1-Chloro-2-ethoxy-2-methoxyethane
CID 548381
2-Chloropropionaldehyde dimethyl acetal
CID 5152854

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-diethoxyethane?
The IUPAC name of 2-chloro-1,1-diethoxyethane (CID 12128) is 2-chloro-1,1-diethoxyethane.
What is the SMILES notation for 2-chloro-1,1-diethoxyethane?
The canonical SMILES for 2-chloro-1,1-diethoxyethane is CCOC(CCl)OCC.
What is the InChIKey of 2-chloro-1,1-diethoxyethane?
The InChIKey is OVXJWSYBABKZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3.
What are the key properties of 2-chloro-1,1-diethoxyethane?
2-chloro-1,1-diethoxyethane has a molecular weight of 152.62 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-diethoxyethane is sourced from PubChem (CID 12128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).