1-(4-methylsulfinylbut-1-enyl)cyclohexene

C11H18OS — CID 54268113

IUPAC1-(4-methylsulfinylbut-1-enyl)cyclohexene
SMILESCS(=O)CCC=CC1=CCCCC1
InChIInChI=1S/C11H18OS/c1-13(12)10-6-5-9-11-7-3-2-4-8-11/h5,7,9H,2-4,6,8,10H2,1H3
InChIKeyRIEYWLCAOFAFBI-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-methylsulfinylbut-1-enyl)cyclohexene

1-(4-methylsulfinylbut-1-enyl)cyclohexene (PubChem CID 54268113) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(4-methylsulfinylbut-1-enyl)cyclohexene.

Molecular Properties

Compound Name1-(4-methylsulfinylbut-1-enyl)cyclohexene
PubChem CID54268113
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name1-(4-methylsulfinylbut-1-enyl)cyclohexene
SMILESCS(=O)CCC=CC1=CCCCC1
InChIInChI=1S/C11H18OS/c1-13(12)10-6-5-9-11-7-3-2-4-8-11/h5,7,9H,2-4,6,8,10H2,1H3
InChIKeyRIEYWLCAOFAFBI-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfinylbut-1-enyl)cyclohexene?
The IUPAC name of 1-(4-methylsulfinylbut-1-enyl)cyclohexene (CID 54268113) is 1-(4-methylsulfinylbut-1-enyl)cyclohexene.
What is the SMILES notation for 1-(4-methylsulfinylbut-1-enyl)cyclohexene?
The canonical SMILES for 1-(4-methylsulfinylbut-1-enyl)cyclohexene is CS(=O)CCC=CC1=CCCCC1.
What is the InChIKey of 1-(4-methylsulfinylbut-1-enyl)cyclohexene?
The InChIKey is RIEYWLCAOFAFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-13(12)10-6-5-9-11-7-3-2-4-8-11/h5,7,9H,2-4,6,8,10H2,1H3.
What are the key properties of 1-(4-methylsulfinylbut-1-enyl)cyclohexene?
1-(4-methylsulfinylbut-1-enyl)cyclohexene has a molecular weight of 198.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfinylbut-1-enyl)cyclohexene is sourced from PubChem (CID 54268113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).