3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane

C14H21ClOS — CID 65157651

IUPAC3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
SMILESCCc1ccc(C(Cl)C2C(C)OC(C)C2C)s1
InChIInChI=1S/C14H21ClOS/c1-5-11-6-7-12(17-11)14(15)13-8(2)9(3)16-10(13)4/h6-10,13-14H,5H2,1-4H3
InChIKeyLXCDMHVRTCRARK-UHFFFAOYSA-N
MW272.84 g/mol
LogP4.65
Rot. Bonds3

About 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane

3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane (PubChem CID 65157651) has the molecular formula C14H21ClOS and a molecular weight of 272.84 g/mol. Its IUPAC name is 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
PubChem CID65157651
Molecular FormulaC14H21ClOS
Molecular Weight272.84 g/mol
Exact Mass272.10
IUPAC Name3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
SMILESCCc1ccc(C(Cl)C2C(C)OC(C)C2C)s1
InChIInChI=1S/C14H21ClOS/c1-5-11-6-7-12(17-11)14(15)13-8(2)9(3)16-10(13)4/h6-10,13-14H,5H2,1-4H3
InChIKeyLXCDMHVRTCRARK-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 54.65
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
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane
CID 102764740
2-[chloro-(5-ethylthiophen-2-yl)methyl]oxolane
CID 61082899
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
3-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,4,5-trimethyloxolane
CID 65158343
2-[chloro-(4-fluorophenyl)methyl]-5-ethylthiophene
CID 63431184
N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156595
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
2-[chloro-(5-ethylthiophen-2-yl)methyl]thiane 1,1-dioxide
CID 104521280
2-(1-chloro-2-methylpentyl)-5-ethylthiophene
CID 63431274

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane?
The IUPAC name of 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane (CID 65157651) is 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane.
What is the SMILES notation for 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane?
The canonical SMILES for 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane is CCc1ccc(C(Cl)C2C(C)OC(C)C2C)s1.
What is the InChIKey of 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane?
The InChIKey is LXCDMHVRTCRARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClOS/c1-5-11-6-7-12(17-11)14(15)13-8(2)9(3)16-10(13)4/h6-10,13-14H,5H2,1-4H3.
What are the key properties of 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane?
3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane has a molecular weight of 272.84 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(5-ethylthiophen-2-yl)methyl]-2,4,5-trimethyloxolane is sourced from PubChem (CID 65157651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).