1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene

C14H18OS — CID 141298001

IUPAC1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(C=CC2CCCC2)cc1
InChIInChI=1S/C14H18OS/c1-16(15)14-10-8-13(9-11-14)7-6-12-4-2-3-5-12/h6-12H,2-5H2,1H3
InChIKeyHJEHEYBJBLLHEP-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene

1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene (PubChem CID 141298001) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene.

Molecular Properties

Compound Name1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene
PubChem CID141298001
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(C=CC2CCCC2)cc1
InChIInChI=1S/C14H18OS/c1-16(15)14-10-8-13(9-11-14)7-6-12-4-2-3-5-12/h6-12H,2-5H2,1H3
InChIKeyHJEHEYBJBLLHEP-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene?
The IUPAC name of 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene (CID 141298001) is 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene.
What is the SMILES notation for 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene?
The canonical SMILES for 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene is CS(=O)c1ccc(C=CC2CCCC2)cc1.
What is the InChIKey of 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene?
The InChIKey is HJEHEYBJBLLHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-16(15)14-10-8-13(9-11-14)7-6-12-4-2-3-5-12/h6-12H,2-5H2,1H3.
What are the key properties of 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene?
1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene has a molecular weight of 234.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethenyl)-4-methylsulfinylbenzene is sourced from PubChem (CID 141298001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).