1,2-bis(2-chloroethoxy)propane

C7H14Cl2O2 — CID 154131394

IUPAC1,2-bis(2-chloroethoxy)propane
SMILESCC(COCCCl)OCCCl
InChIInChI=1S/C7H14Cl2O2/c1-7(11-5-3-9)6-10-4-2-8/h7H,2-6H2,1H3
InChIKeyZOKBKKQXMBOBOM-UHFFFAOYSA-N
MW201.09 g/mol
LogP1.89
Rot. Bonds7

About 1,2-bis(2-chloroethoxy)propane

1,2-bis(2-chloroethoxy)propane (PubChem CID 154131394) has the molecular formula C7H14Cl2O2 and a molecular weight of 201.09 g/mol. Its IUPAC name is 1,2-bis(2-chloroethoxy)propane.

Molecular Properties

Compound Name1,2-bis(2-chloroethoxy)propane
PubChem CID154131394
Molecular FormulaC7H14Cl2O2
Molecular Weight201.09 g/mol
Exact Mass200.04
IUPAC Name1,2-bis(2-chloroethoxy)propane
SMILESCC(COCCCl)OCCCl
InChIInChI=1S/C7H14Cl2O2/c1-7(11-5-3-9)6-10-4-2-8/h7H,2-6H2,1H3
InChIKeyZOKBKKQXMBOBOM-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
CID 71321218
2-(2-chloroethoxy)-1-ethoxypropane
CID 103487889
2-chloro-1-(2-chloroethoxy)propane
CID 3392808
1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
CID 4684876
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
1-chloro-2,3-bis(2-chloroethoxy)propane
CID 56630886
1,2-bis(2-fluoroethoxy)propane
CID 175717319
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
CID 126575366
1-(2-hexoxypropoxy)hexane
CID 71353992
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
1-(2-propoxypropoxy)pentane
CID 22002926

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloroethoxy)propane?
The IUPAC name of 1,2-bis(2-chloroethoxy)propane (CID 154131394) is 1,2-bis(2-chloroethoxy)propane.
What is the SMILES notation for 1,2-bis(2-chloroethoxy)propane?
The canonical SMILES for 1,2-bis(2-chloroethoxy)propane is CC(COCCCl)OCCCl.
What is the InChIKey of 1,2-bis(2-chloroethoxy)propane?
The InChIKey is ZOKBKKQXMBOBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O2/c1-7(11-5-3-9)6-10-4-2-8/h7H,2-6H2,1H3.
What are the key properties of 1,2-bis(2-chloroethoxy)propane?
1,2-bis(2-chloroethoxy)propane has a molecular weight of 201.09 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-chloroethoxy)propane is sourced from PubChem (CID 154131394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).