1-chloro-3-(2-propoxyethoxy)propane

C8H17ClO2 — CID 63687121

IUPAC1-chloro-3-(2-propoxyethoxy)propane
SMILESCCCOCCOCCCCl
InChIInChI=1S/C8H17ClO2/c1-2-5-10-7-8-11-6-3-4-9/h2-8H2,1H3
InChIKeyJIXKXUMVWOXBPS-UHFFFAOYSA-N
MW180.67 g/mol
LogP2.06
Rot. Bonds8

About 1-chloro-3-(2-propoxyethoxy)propane

1-chloro-3-(2-propoxyethoxy)propane (PubChem CID 63687121) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 1-chloro-3-(2-propoxyethoxy)propane.

Molecular Properties

Compound Name1-chloro-3-(2-propoxyethoxy)propane
PubChem CID63687121
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name1-chloro-3-(2-propoxyethoxy)propane
SMILESCCCOCCOCCCCl
InChIInChI=1S/C8H17ClO2/c1-2-5-10-7-8-11-6-3-4-9/h2-8H2,1H3
InChIKeyJIXKXUMVWOXBPS-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-propoxyethoxy)propane?
The IUPAC name of 1-chloro-3-(2-propoxyethoxy)propane (CID 63687121) is 1-chloro-3-(2-propoxyethoxy)propane.
What is the SMILES notation for 1-chloro-3-(2-propoxyethoxy)propane?
The canonical SMILES for 1-chloro-3-(2-propoxyethoxy)propane is CCCOCCOCCCCl.
What is the InChIKey of 1-chloro-3-(2-propoxyethoxy)propane?
The InChIKey is JIXKXUMVWOXBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO2/c1-2-5-10-7-8-11-6-3-4-9/h2-8H2,1H3.
What are the key properties of 1-chloro-3-(2-propoxyethoxy)propane?
1-chloro-3-(2-propoxyethoxy)propane has a molecular weight of 180.67 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-propoxyethoxy)propane is sourced from PubChem (CID 63687121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).