1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane

C12H21ClO2 — CID 106207219

IUPAC1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
SMILESCCCOC1C(Cl)CC1OCCC1CC1
InChIInChI=1S/C12H21ClO2/c1-2-6-15-12-10(13)8-11(12)14-7-5-9-3-4-9/h9-12H,2-8H2,1H3
InChIKeyWYJMCMKXIOETFI-UHFFFAOYSA-N
MW232.75 g/mol
LogP2.98
Rot. Bonds7

About 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane

1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane (PubChem CID 106207219) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane.

Molecular Properties

Compound Name1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
PubChem CID106207219
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
SMILESCCCOC1C(Cl)CC1OCCC1CC1
InChIInChI=1S/C12H21ClO2/c1-2-6-15-12-10(13)8-11(12)14-7-5-9-3-4-9/h9-12H,2-8H2,1H3
InChIKeyWYJMCMKXIOETFI-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane 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-(2-cyclopropylethoxy)-2-propoxycyclobutane?
The IUPAC name of 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane (CID 106207219) is 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane.
What is the SMILES notation for 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
The canonical SMILES for 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane is CCCOC1C(Cl)CC1OCCC1CC1.
What is the InChIKey of 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
The InChIKey is WYJMCMKXIOETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-2-6-15-12-10(13)8-11(12)14-7-5-9-3-4-9/h9-12H,2-8H2,1H3.
What are the key properties of 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane has a molecular weight of 232.75 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane is sourced from PubChem (CID 106207219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).