3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane

C11H14Cl2OS — CID 130706519

IUPAC3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane
SMILESCC1(C)OCC(Cc2sccc2Cl)C1Cl
InChIInChI=1S/C11H14Cl2OS/c1-11(2)10(13)7(6-14-11)5-9-8(12)3-4-15-9/h3-4,7,10H,5-6H2,1-2H3
InChIKeyCSDIUKGJRSJDCW-UHFFFAOYSA-N
MW265.20 g/mol
LogP3.98
Rot. Bonds2

About 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane

3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane (PubChem CID 130706519) has the molecular formula C11H14Cl2OS and a molecular weight of 265.20 g/mol. Its IUPAC name is 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane
PubChem CID130706519
Molecular FormulaC11H14Cl2OS
Molecular Weight265.20 g/mol
Exact Mass264.01
IUPAC Name3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane
SMILESCC1(C)OCC(Cc2sccc2Cl)C1Cl
InChIInChI=1S/C11H14Cl2OS/c1-11(2)10(13)7(6-14-11)5-9-8(12)3-4-15-9/h3-4,7,10H,5-6H2,1-2H3
InChIKeyCSDIUKGJRSJDCW-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane?
The IUPAC name of 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane (CID 130706519) is 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane?
The canonical SMILES for 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane is CC1(C)OCC(Cc2sccc2Cl)C1Cl.
What is the InChIKey of 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane?
The InChIKey is CSDIUKGJRSJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2OS/c1-11(2)10(13)7(6-14-11)5-9-8(12)3-4-15-9/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane?
3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane has a molecular weight of 265.20 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-chlorothiophen-2-yl)methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 130706519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).