1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane

C9H19ClO3 — CID 103177369

IUPAC1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane
SMILESCOCCCOCCOCCCCl
InChIInChI=1S/C9H19ClO3/c1-11-5-3-7-13-9-8-12-6-2-4-10/h2-9H2,1H3
InChIKeyUMEGZEXGHZNCDG-UHFFFAOYSA-N
MW210.70 g/mol
LogP1.68
Rot. Bonds10

About 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane

1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane (PubChem CID 103177369) has the molecular formula C9H19ClO3 and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane.

Molecular Properties

Compound Name1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane
PubChem CID103177369
Molecular FormulaC9H19ClO3
Molecular Weight210.70 g/mol
Exact Mass210.10
IUPAC Name1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane
SMILESCOCCCOCCOCCCCl
InChIInChI=1S/C9H19ClO3/c1-11-5-3-7-13-9-8-12-6-2-4-10/h2-9H2,1H3
InChIKeyUMEGZEXGHZNCDG-UHFFFAOYSA-N
XLogP1.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.68
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-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane?
The IUPAC name of 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane (CID 103177369) is 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane.
What is the SMILES notation for 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane?
The canonical SMILES for 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane is COCCCOCCOCCCCl.
What is the InChIKey of 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane?
The InChIKey is UMEGZEXGHZNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO3/c1-11-5-3-7-13-9-8-12-6-2-4-10/h2-9H2,1H3.
What are the key properties of 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane?
1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane has a molecular weight of 210.70 g/mol, XLogP of 1.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloropropoxy)ethoxy]-3-methoxypropane is sourced from PubChem (CID 103177369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).