1,2,3-tris(2-chloroethoxy)-2-methylpropane

C10H19Cl3O3 — CID 15318760

IUPAC1,2,3-tris(2-chloroethoxy)-2-methylpropane
SMILESCC(COCCCl)(COCCCl)OCCCl
InChIInChI=1S/C10H19Cl3O3/c1-10(16-7-4-13,8-14-5-2-11)9-15-6-3-12/h2-9H2,1H3
InChIKeyPFHFCWVHKAGTKF-UHFFFAOYSA-N
MW293.62 g/mol
LogP2.51
Rot. Bonds11

About 1,2,3-tris(2-chloroethoxy)-2-methylpropane

1,2,3-tris(2-chloroethoxy)-2-methylpropane (PubChem CID 15318760) has the molecular formula C10H19Cl3O3 and a molecular weight of 293.62 g/mol. Its IUPAC name is 1,2,3-tris(2-chloroethoxy)-2-methylpropane.

Molecular Properties

Compound Name1,2,3-tris(2-chloroethoxy)-2-methylpropane
PubChem CID15318760
Molecular FormulaC10H19Cl3O3
Molecular Weight293.62 g/mol
Exact Mass292.04
IUPAC Name1,2,3-tris(2-chloroethoxy)-2-methylpropane
SMILESCC(COCCCl)(COCCCl)OCCCl
InChIInChI=1S/C10H19Cl3O3/c1-10(16-7-4-13,8-14-5-2-11)9-15-6-3-12/h2-9H2,1H3
InChIKeyPFHFCWVHKAGTKF-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 52.51
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'}

Analyze 1,2,3-tris(2-chloroethoxy)-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(2-chloroethoxy)-2-methylpropane?
The IUPAC name of 1,2,3-tris(2-chloroethoxy)-2-methylpropane (CID 15318760) is 1,2,3-tris(2-chloroethoxy)-2-methylpropane.
What is the SMILES notation for 1,2,3-tris(2-chloroethoxy)-2-methylpropane?
The canonical SMILES for 1,2,3-tris(2-chloroethoxy)-2-methylpropane is CC(COCCCl)(COCCCl)OCCCl.
What is the InChIKey of 1,2,3-tris(2-chloroethoxy)-2-methylpropane?
The InChIKey is PFHFCWVHKAGTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl3O3/c1-10(16-7-4-13,8-14-5-2-11)9-15-6-3-12/h2-9H2,1H3.
What are the key properties of 1,2,3-tris(2-chloroethoxy)-2-methylpropane?
1,2,3-tris(2-chloroethoxy)-2-methylpropane has a molecular weight of 293.62 g/mol, XLogP of 2.51, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(2-chloroethoxy)-2-methylpropane is sourced from PubChem (CID 15318760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).