3-(2-methylsulfanylethyl)cyclohexene

C9H16S — CID 70253063

IUPAC3-(2-methylsulfanylethyl)cyclohexene
SMILESCSCCC1C=CCCC1
InChIInChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h3,5,9H,2,4,6-8H2,1H3
InChIKeyILCCNZLFIXKETH-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-methylsulfanylethyl)cyclohexene

3-(2-methylsulfanylethyl)cyclohexene (PubChem CID 70253063) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)cyclohexene.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)cyclohexene
PubChem CID70253063
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name3-(2-methylsulfanylethyl)cyclohexene
SMILESCSCCC1C=CCCC1
InChIInChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h3,5,9H,2,4,6-8H2,1H3
InChIKeyILCCNZLFIXKETH-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)cyclohexene?
The IUPAC name of 3-(2-methylsulfanylethyl)cyclohexene (CID 70253063) is 3-(2-methylsulfanylethyl)cyclohexene.
What is the SMILES notation for 3-(2-methylsulfanylethyl)cyclohexene?
The canonical SMILES for 3-(2-methylsulfanylethyl)cyclohexene is CSCCC1C=CCCC1.
What is the InChIKey of 3-(2-methylsulfanylethyl)cyclohexene?
The InChIKey is ILCCNZLFIXKETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 3-(2-methylsulfanylethyl)cyclohexene?
3-(2-methylsulfanylethyl)cyclohexene has a molecular weight of 156.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)cyclohexene is sourced from PubChem (CID 70253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).