1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane

C7H14Cl2O2 — CID 4684876

IUPAC1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
SMILESCC(CCl)OCCOCCCl
InChIInChI=1S/C7H14Cl2O2/c1-7(6-9)11-5-4-10-3-2-8/h7H,2-6H2,1H3
InChIKeyABPWHFHVXRVRBQ-UHFFFAOYSA-N
MW201.09 g/mol
LogP1.89
Rot. Bonds7

About 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane

1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane (PubChem CID 4684876) has the molecular formula C7H14Cl2O2 and a molecular weight of 201.09 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane.

Molecular Properties

Compound Name1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
PubChem CID4684876
Molecular FormulaC7H14Cl2O2
Molecular Weight201.09 g/mol
Exact Mass200.04
IUPAC Name1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane
SMILESCC(CCl)OCCOCCCl
InChIInChI=1S/C7H14Cl2O2/c1-7(6-9)11-5-4-10-3-2-8/h7H,2-6H2,1H3
InChIKeyABPWHFHVXRVRBQ-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

1,2-bis(2-chloroethoxy)propane
CID 154131394
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
CID 71321218
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
2-(2-chloroethoxy)-1-ethoxypropane
CID 103487889
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
2-chloro-2-[2-(2-chloroethoxy)ethoxy]acetaldehyde
CID 175210573
N-[2-(2-chloroethoxy)ethyl]-N-methylbutan-2-amine
CID 63666470
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
2-chloro-1-(2-chloroethoxy)propane
CID 3392808
(2R,3R)-3-amino-4-[2-(2-chloroethoxy)ethoxy]butan-2-ol
CID 15339203
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane?
The IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane (CID 4684876) is 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane.
What is the SMILES notation for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane?
The canonical SMILES for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane is CC(CCl)OCCOCCCl.
What is the InChIKey of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane?
The InChIKey is ABPWHFHVXRVRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O2/c1-7(6-9)11-5-4-10-3-2-8/h7H,2-6H2,1H3.
What are the key properties of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]propane?
1-chloro-2-[2-(2-chloroethoxy)ethoxy]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-chloro-2-[2-(2-chloroethoxy)ethoxy]propane is sourced from PubChem (CID 4684876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).