2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane

C11H15ClOS — CID 61082899

IUPAC2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
SMILESCCc1ccc(C(Cl)C2CCCO2)s1
InChIInChI=1S/C11H15ClOS/c1-2-8-5-6-10(14-8)11(12)9-4-3-7-13-9/h5-6,9,11H,2-4,7H2,1H3
InChIKeyHGPVTJYTWYORGL-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.77
Rot. Bonds3

About 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane

2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane (PubChem CID 61082899) has the molecular formula C11H15ClOS and a molecular weight of 230.76 g/mol. Its IUPAC name is 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
PubChem CID61082899
Molecular FormulaC11H15ClOS
Molecular Weight230.76 g/mol
Exact Mass230.05
IUPAC Name2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
SMILESCCc1ccc(C(Cl)C2CCCO2)s1
InChIInChI=1S/C11H15ClOS/c1-2-8-5-6-10(14-8)11(12)9-4-3-7-13-9/h5-6,9,11H,2-4,7H2,1H3
InChIKeyHGPVTJYTWYORGL-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanol
CID 65149785
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
CID 115842655
2-[chloro-(5-ethylthiophen-2-yl)methyl]thiane 1,1-dioxide
CID 104521280
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
CID 65157651
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
2-[chloro-(3,4-diethoxyphenyl)methyl]oxolane
CID 61083960
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 55062169
2-[chloro(phenyl)methyl]oxolane
CID 11084790

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane?
The IUPAC name of 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane (CID 61082899) is 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane.
What is the SMILES notation for 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane?
The canonical SMILES for 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane is CCc1ccc(C(Cl)C2CCCO2)s1.
What is the InChIKey of 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane?
The InChIKey is HGPVTJYTWYORGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOS/c1-2-8-5-6-10(14-8)11(12)9-4-3-7-13-9/h5-6,9,11H,2-4,7H2,1H3.
What are the key properties of 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane?
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane has a molecular weight of 230.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane is sourced from PubChem (CID 61082899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).