1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane

C10H20Cl2O4 — CID 21428408

IUPAC1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
SMILESClCCOCCCOCOCCOCCCl
InChIInChI=1S/C10H20Cl2O4/c11-2-6-13-4-1-5-15-10-16-9-8-14-7-3-12/h1-10H2
InChIKeyPZLXYWHYVNLDIE-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.88
Rot. Bonds13

About 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane

1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane (PubChem CID 21428408) has the molecular formula C10H20Cl2O4 and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane.

Molecular Properties

Compound Name1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
PubChem CID21428408
Molecular FormulaC10H20Cl2O4
Molecular Weight275.17 g/mol
Exact Mass274.07
IUPAC Name1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
SMILESClCCOCCCOCOCCOCCCl
InChIInChI=1S/C10H20Cl2O4/c11-2-6-13-4-1-5-15-10-16-9-8-14-7-3-12/h1-10H2
InChIKeyPZLXYWHYVNLDIE-UHFFFAOYSA-N
XLogP1.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.88
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
3-(2-chloroethoxy)propan-1-amine
CID 106306176
1-(2-chloroethoxy)octane
CID 20788542
1-chloro-3-[2-(3-iodopropoxy)ethoxy]propane
CID 137354399
1-chloro-2-(2-iodoethoxy)ethane
CID 86625811
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-N,N-dimethylmethanamine
CID 176891909
2-(2-chloroethoxy)ethoxy-trimethylsilane
CID 12686025
1,3-bis(propoxymethoxy)propane;methane
CID 164971527

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane?
The IUPAC name of 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane (CID 21428408) is 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane.
What is the SMILES notation for 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane?
The canonical SMILES for 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane is ClCCOCCCOCOCCOCCCl.
What is the InChIKey of 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane?
The InChIKey is PZLXYWHYVNLDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O4/c11-2-6-13-4-1-5-15-10-16-9-8-14-7-3-12/h1-10H2.
What are the key properties of 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane?
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane has a molecular weight of 275.17 g/mol, XLogP of 1.88, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane is sourced from PubChem (CID 21428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).