2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane

C13H25ClO2 — CID 66345125

IUPAC2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane
SMILESCCCCOCCOC1CC(Cl)C1(C)CC
InChIInChI=1S/C13H25ClO2/c1-4-6-7-15-8-9-16-12-10-11(14)13(12,3)5-2/h11-12H,4-10H2,1-3H3
InChIKeyNVQMCYQGFZTMDG-UHFFFAOYSA-N
MW248.79 g/mol
LogP3.62
Rot. Bonds8

About 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane

2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane (PubChem CID 66345125) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane
PubChem CID66345125
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane
SMILESCCCCOCCOC1CC(Cl)C1(C)CC
InChIInChI=1S/C13H25ClO2/c1-4-6-7-15-8-9-16-12-10-11(14)13(12,3)5-2/h11-12H,4-10H2,1-3H3
InChIKeyNVQMCYQGFZTMDG-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 53.62
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'}

Analyze 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane 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 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane?
The IUPAC name of 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane (CID 66345125) is 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane.
What is the SMILES notation for 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane?
The canonical SMILES for 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane is CCCCOCCOC1CC(Cl)C1(C)CC.
What is the InChIKey of 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane?
The InChIKey is NVQMCYQGFZTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-4-6-7-15-8-9-16-12-10-11(14)13(12,3)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane?
2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane has a molecular weight of 248.79 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-4-chloro-1-ethyl-1-methylcyclobutane is sourced from PubChem (CID 66345125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).