1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane

C10H20Cl2O3 — CID 5079420

IUPAC1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane
SMILESCCC(CCl)OCCOCCOCCCl
InChIInChI=1S/C10H20Cl2O3/c1-2-10(9-12)15-8-7-14-6-5-13-4-3-11/h10H,2-9H2,1H3
InChIKeyHCMSDEVOAYKEPG-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.29
Rot. Bonds11

About 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane

1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane (PubChem CID 5079420) has the molecular formula C10H20Cl2O3 and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane.

Molecular Properties

Compound Name1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane
PubChem CID5079420
Molecular FormulaC10H20Cl2O3
Molecular Weight259.17 g/mol
Exact Mass258.08
IUPAC Name1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane
SMILESCCC(CCl)OCCOCCOCCCl
InChIInChI=1S/C10H20Cl2O3/c1-2-10(9-12)15-8-7-14-6-5-13-4-3-11/h10H,2-9H2,1H3
InChIKeyHCMSDEVOAYKEPG-UHFFFAOYSA-N
XLogP2.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.29
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-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane?
The IUPAC name of 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane (CID 5079420) is 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane.
What is the SMILES notation for 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane?
The canonical SMILES for 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane is CCC(CCl)OCCOCCOCCCl.
What is the InChIKey of 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane?
The InChIKey is HCMSDEVOAYKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O3/c1-2-10(9-12)15-8-7-14-6-5-13-4-3-11/h10H,2-9H2,1H3.
What are the key properties of 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane?
1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane has a molecular weight of 259.17 g/mol, XLogP of 2.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]butane is sourced from PubChem (CID 5079420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).