3-methyl-5-(2-methylsulfanylethyl)cyclohexene

C10H18S — CID 167071708

IUPAC3-methyl-5-(2-methylsulfanylethyl)cyclohexene
SMILESCSCCC1CC=CC(C)C1
InChIInChI=1S/C10H18S/c1-9-4-3-5-10(8-9)6-7-11-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCEBBWJPUEOEBCV-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-5-(2-methylsulfanylethyl)cyclohexene

3-methyl-5-(2-methylsulfanylethyl)cyclohexene (PubChem CID 167071708) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylethyl)cyclohexene.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylethyl)cyclohexene
PubChem CID167071708
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3-methyl-5-(2-methylsulfanylethyl)cyclohexene
SMILESCSCCC1CC=CC(C)C1
InChIInChI=1S/C10H18S/c1-9-4-3-5-10(8-9)6-7-11-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyCEBBWJPUEOEBCV-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.34
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-methyl-5-(2-methylsulfanylethyl)cyclohexene?
The IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)cyclohexene (CID 167071708) is 3-methyl-5-(2-methylsulfanylethyl)cyclohexene.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylethyl)cyclohexene?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylethyl)cyclohexene is CSCCC1CC=CC(C)C1.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylethyl)cyclohexene?
The InChIKey is CEBBWJPUEOEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-9-4-3-5-10(8-9)6-7-11-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylethyl)cyclohexene?
3-methyl-5-(2-methylsulfanylethyl)cyclohexene has a molecular weight of 170.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylethyl)cyclohexene is sourced from PubChem (CID 167071708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).