4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane

C10H13ClO2S — CID 82775608

IUPAC4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane
SMILESCCc1ccc(C2OCC(CCl)O2)s1
InChIInChI=1S/C10H13ClO2S/c1-2-8-3-4-9(14-8)10-12-6-7(5-11)13-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyUCUOPNMAMAWUQH-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.96
Rot. Bonds3

About 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane

4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane (PubChem CID 82775608) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane
PubChem CID82775608
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane
SMILESCCc1ccc(C2OCC(CCl)O2)s1
InChIInChI=1S/C10H13ClO2S/c1-2-8-3-4-9(14-8)10-12-6-7(5-11)13-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyUCUOPNMAMAWUQH-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane (CID 82775608) is 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane is CCc1ccc(C2OCC(CCl)O2)s1.
What is the InChIKey of 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane?
The InChIKey is UCUOPNMAMAWUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-2-8-3-4-9(14-8)10-12-6-7(5-11)13-10/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane?
4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane has a molecular weight of 232.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane is sourced from PubChem (CID 82775608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).