2,3-bis[2-(2-chloroethoxy)ethoxy]butane

C12H24Cl2O4 — CID 15090710

IUPAC2,3-bis[2-(2-chloroethoxy)ethoxy]butane
SMILESCC(OCCOCCCl)C(C)OCCOCCCl
InChIInChI=1S/C12H24Cl2O4/c1-11(17-9-7-15-5-3-13)12(2)18-10-8-16-6-4-14/h11-12H,3-10H2,1-2H3
InChIKeyJELPMWCAYYWINH-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.31
Rot. Bonds13

About 2,3-bis[2-(2-chloroethoxy)ethoxy]butane

2,3-bis[2-(2-chloroethoxy)ethoxy]butane (PubChem CID 15090710) has the molecular formula C12H24Cl2O4 and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,3-bis[2-(2-chloroethoxy)ethoxy]butane.

Molecular Properties

Compound Name2,3-bis[2-(2-chloroethoxy)ethoxy]butane
PubChem CID15090710
Molecular FormulaC12H24Cl2O4
Molecular Weight303.23 g/mol
Exact Mass302.11
IUPAC Name2,3-bis[2-(2-chloroethoxy)ethoxy]butane
SMILESCC(OCCOCCCl)C(C)OCCOCCCl
InChIInChI=1S/C12H24Cl2O4/c1-11(17-9-7-15-5-3-13)12(2)18-10-8-16-6-4-14/h11-12H,3-10H2,1-2H3
InChIKeyJELPMWCAYYWINH-UHFFFAOYSA-N
XLogP2.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,3-bis[2-(2-chloroethoxy)ethoxy]butane?
The IUPAC name of 2,3-bis[2-(2-chloroethoxy)ethoxy]butane (CID 15090710) is 2,3-bis[2-(2-chloroethoxy)ethoxy]butane.
What is the SMILES notation for 2,3-bis[2-(2-chloroethoxy)ethoxy]butane?
The canonical SMILES for 2,3-bis[2-(2-chloroethoxy)ethoxy]butane is CC(OCCOCCCl)C(C)OCCOCCCl.
What is the InChIKey of 2,3-bis[2-(2-chloroethoxy)ethoxy]butane?
The InChIKey is JELPMWCAYYWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2O4/c1-11(17-9-7-15-5-3-13)12(2)18-10-8-16-6-4-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,3-bis[2-(2-chloroethoxy)ethoxy]butane?
2,3-bis[2-(2-chloroethoxy)ethoxy]butane has a molecular weight of 303.23 g/mol, XLogP of 2.31, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-(2-chloroethoxy)ethoxy]butane is sourced from PubChem (CID 15090710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).