2-(2-chloroethoxy)-1-ethoxypropane

C7H15ClO2 — CID 103487889

IUPAC2-(2-chloroethoxy)-1-ethoxypropane
SMILESCCOCC(C)OCCCl
InChIInChI=1S/C7H15ClO2/c1-3-9-6-7(2)10-5-4-8/h7H,3-6H2,1-2H3
InChIKeyGSFSGPABVWWUON-UHFFFAOYSA-N
MW166.65 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-chloroethoxy)-1-ethoxypropane

2-(2-chloroethoxy)-1-ethoxypropane (PubChem CID 103487889) has the molecular formula C7H15ClO2 and a molecular weight of 166.65 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-1-ethoxypropane.

Molecular Properties

Compound Name2-(2-chloroethoxy)-1-ethoxypropane
PubChem CID103487889
Molecular FormulaC7H15ClO2
Molecular Weight166.65 g/mol
Exact Mass166.08
IUPAC Name2-(2-chloroethoxy)-1-ethoxypropane
SMILESCCOCC(C)OCCCl
InChIInChI=1S/C7H15ClO2/c1-3-9-6-7(2)10-5-4-8/h7H,3-6H2,1-2H3
InChIKeyGSFSGPABVWWUON-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-chloroethoxy)propane
CID 154131394
2-(2-chloroethoxy)-1-[2-[2-(2-chloroethoxy)propoxy]propoxy]propane
CID 71321218
(2R)-1,2-diethoxypropane
CID 92973991
2-(1-ethoxypropan-2-yloxy)ethanethiol
CID 103491367
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
4-(1-ethoxypropan-2-yloxy)-N-methylbutan-1-amine
CID 103490477
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
1-ethoxy-2-(2-ethoxypropoxy)propane;1-ethoxy-2-(2-methoxypropoxy)propane
CID 159210596
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-1-ethoxypropane?
The IUPAC name of 2-(2-chloroethoxy)-1-ethoxypropane (CID 103487889) is 2-(2-chloroethoxy)-1-ethoxypropane.
What is the SMILES notation for 2-(2-chloroethoxy)-1-ethoxypropane?
The canonical SMILES for 2-(2-chloroethoxy)-1-ethoxypropane is CCOCC(C)OCCCl.
What is the InChIKey of 2-(2-chloroethoxy)-1-ethoxypropane?
The InChIKey is GSFSGPABVWWUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2/c1-3-9-6-7(2)10-5-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2-chloroethoxy)-1-ethoxypropane?
2-(2-chloroethoxy)-1-ethoxypropane has a molecular weight of 166.65 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-1-ethoxypropane is sourced from PubChem (CID 103487889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).