1,1-bis(2-chloroethoxy)propane

C7H14Cl2O2 — CID 86206137

IUPAC1,1-bis(2-chloroethoxy)propane
SMILESCCC(OCCCl)OCCCl
InChIInChI=1S/C7H14Cl2O2/c1-2-7(10-5-3-8)11-6-4-9/h7H,2-6H2,1H3
InChIKeyLSXVOLOVRGUACV-UHFFFAOYSA-N
MW201.09 g/mol
LogP2.23
Rot. Bonds7

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

1,1-bis(2-chloroethoxy)propane (PubChem CID 86206137) has the molecular formula C7H14Cl2O2 and a molecular weight of 201.09 g/mol. Its IUPAC name is 1,1-bis(2-chloroethoxy)propane.

Molecular Properties

Compound Name1,1-bis(2-chloroethoxy)propane
PubChem CID86206137
Molecular FormulaC7H14Cl2O2
Molecular Weight201.09 g/mol
Exact Mass200.04
IUPAC Name1,1-bis(2-chloroethoxy)propane
SMILESCCC(OCCCl)OCCCl
InChIInChI=1S/C7H14Cl2O2/c1-2-7(10-5-3-8)11-6-4-9/h7H,2-6H2,1H3
InChIKeyLSXVOLOVRGUACV-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-chloroethoxy)propane?
The IUPAC name of 1,1-bis(2-chloroethoxy)propane (CID 86206137) is 1,1-bis(2-chloroethoxy)propane.
What is the SMILES notation for 1,1-bis(2-chloroethoxy)propane?
The canonical SMILES for 1,1-bis(2-chloroethoxy)propane is CCC(OCCCl)OCCCl.
What is the InChIKey of 1,1-bis(2-chloroethoxy)propane?
The InChIKey is LSXVOLOVRGUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O2/c1-2-7(10-5-3-8)11-6-4-9/h7H,2-6H2,1H3.
What are the key properties of 1,1-bis(2-chloroethoxy)propane?
1,1-bis(2-chloroethoxy)propane has a molecular weight of 201.09 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-chloroethoxy)propane is sourced from PubChem (CID 86206137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).