3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane

C11H15ClOS — CID 79373429

IUPAC3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane
SMILESCc1cc(C2OCCC2CCl)c(C)s1
InChIInChI=1S/C11H15ClOS/c1-7-5-10(8(2)14-7)11-9(6-12)3-4-13-11/h5,9,11H,3-4,6H2,1-2H3
InChIKeyOFFOQCYVTFHCJJ-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.68
Rot. Bonds2

About 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane

3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane (PubChem CID 79373429) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane
PubChem CID79373429
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane
SMILESCc1cc(C2OCCC2CCl)c(C)s1
InChIInChI=1S/C11H15ClOS/c1-7-5-10(8(2)14-7)11-9(6-12)3-4-13-11/h5,9,11H,3-4,6H2,1-2H3
InChIKeyOFFOQCYVTFHCJJ-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane 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 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane (CID 79373429) is 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane is Cc1cc(C2OCCC2CCl)c(C)s1.
What is the InChIKey of 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane?
The InChIKey is OFFOQCYVTFHCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c1-7-5-10(8(2)14-7)11-9(6-12)3-4-13-11/h5,9,11H,3-4,6H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane?
3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane has a molecular weight of 230.76 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane is sourced from PubChem (CID 79373429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).