1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane

C9H17ClO2 — CID 103491309

IUPAC1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane
SMILESCCOCC(C)OC1CC(Cl)C1
InChIInChI=1S/C9H17ClO2/c1-3-11-6-7(2)12-9-4-8(10)5-9/h7-9H,3-6H2,1-2H3
InChIKeyNKCDGQFOIOGIRM-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.20
Rot. Bonds5

About 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane

1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane (PubChem CID 103491309) has the molecular formula C9H17ClO2 and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane.

Molecular Properties

Compound Name1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane
PubChem CID103491309
Molecular FormulaC9H17ClO2
Molecular Weight192.69 g/mol
Exact Mass192.09
IUPAC Name1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane
SMILESCCOCC(C)OC1CC(Cl)C1
InChIInChI=1S/C9H17ClO2/c1-3-11-6-7(2)12-9-4-8(10)5-9/h7-9H,3-6H2,1-2H3
InChIKeyNKCDGQFOIOGIRM-UHFFFAOYSA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane 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-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane?
The IUPAC name of 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane (CID 103491309) is 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane.
What is the SMILES notation for 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane?
The canonical SMILES for 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane is CCOCC(C)OC1CC(Cl)C1.
What is the InChIKey of 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane?
The InChIKey is NKCDGQFOIOGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2/c1-3-11-6-7(2)12-9-4-8(10)5-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane?
1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane has a molecular weight of 192.69 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-ethoxypropan-2-yloxy)cyclobutane is sourced from PubChem (CID 103491309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).