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

C8H16Cl2O2 — CID 14267083

IUPAC1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane
SMILESClCCCOCCOCCCCl
InChIInChI=1S/C8H16Cl2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-8H2
InChIKeyYYPIXVKDWBPXQY-UHFFFAOYSA-N
MW215.12 g/mol
LogP2.28
Rot. Bonds9

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

1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane (PubChem CID 14267083) has the molecular formula C8H16Cl2O2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane.

Molecular Properties

Compound Name1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane
PubChem CID14267083
Molecular FormulaC8H16Cl2O2
Molecular Weight215.12 g/mol
Exact Mass214.05
IUPAC Name1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane
SMILESClCCCOCCOCCCCl
InChIInChI=1S/C8H16Cl2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-8H2
InChIKeyYYPIXVKDWBPXQY-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 52.28
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-(3-chloropropoxy)ethoxy]propane?
The IUPAC name of 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane (CID 14267083) is 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane.
What is the SMILES notation for 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane?
The canonical SMILES for 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane is ClCCCOCCOCCCCl.
What is the InChIKey of 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane?
The InChIKey is YYPIXVKDWBPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-8H2.
What are the key properties of 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane?
1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane has a molecular weight of 215.12 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(3-chloropropoxy)ethoxy]propane is sourced from PubChem (CID 14267083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).