1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane

C8H17ClO3 — CID 547794

IUPAC1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane
SMILESCOCCOCCOCCCCl
InChIInChI=1S/C8H17ClO3/c1-10-5-6-12-8-7-11-4-2-3-9/h2-8H2,1H3
InChIKeyRKDWGHGQWJLHRH-UHFFFAOYSA-N
MW196.67 g/mol
LogP1.29
Rot. Bonds9

About 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane

1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane (PubChem CID 547794) has the molecular formula C8H17ClO3 and a molecular weight of 196.67 g/mol. Its IUPAC name is 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane.

Molecular Properties

Compound Name1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane
PubChem CID547794
Molecular FormulaC8H17ClO3
Molecular Weight196.67 g/mol
Exact Mass196.09
IUPAC Name1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane
SMILESCOCCOCCOCCCCl
InChIInChI=1S/C8H17ClO3/c1-10-5-6-12-8-7-11-4-2-3-9/h2-8H2,1H3
InChIKeyRKDWGHGQWJLHRH-UHFFFAOYSA-N
XLogP1.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.67
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)ethoxy]propane?
The IUPAC name of 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane (CID 547794) is 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane.
What is the SMILES notation for 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane?
The canonical SMILES for 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane is COCCOCCOCCCCl.
What is the InChIKey of 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane?
The InChIKey is RKDWGHGQWJLHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3/c1-10-5-6-12-8-7-11-4-2-3-9/h2-8H2,1H3.
What are the key properties of 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane?
1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane has a molecular weight of 196.67 g/mol, XLogP of 1.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane is sourced from PubChem (CID 547794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).