4-(2-octylsulfinylethyl)cyclohexene

C16H30OS — CID 154114972

IUPAC4-(2-octylsulfinylethyl)cyclohexene
SMILESCCCCCCCCS(=O)CCC1CC=CCC1
InChIInChI=1S/C16H30OS/c1-2-3-4-5-6-10-14-18(17)15-13-16-11-8-7-9-12-16/h7-8,16H,2-6,9-15H2,1H3
InChIKeyVBLMONXFDHNQEO-UHFFFAOYSA-N
MW270.48 g/mol
LogP4.84
Rot. Bonds10

About 4-(2-octylsulfinylethyl)cyclohexene

4-(2-octylsulfinylethyl)cyclohexene (PubChem CID 154114972) has the molecular formula C16H30OS and a molecular weight of 270.48 g/mol. Its IUPAC name is 4-(2-octylsulfinylethyl)cyclohexene.

Molecular Properties

Compound Name4-(2-octylsulfinylethyl)cyclohexene
PubChem CID154114972
Molecular FormulaC16H30OS
Molecular Weight270.48 g/mol
Exact Mass270.20
IUPAC Name4-(2-octylsulfinylethyl)cyclohexene
SMILESCCCCCCCCS(=O)CCC1CC=CCC1
InChIInChI=1S/C16H30OS/c1-2-3-4-5-6-10-14-18(17)15-13-16-11-8-7-9-12-16/h7-8,16H,2-6,9-15H2,1H3
InChIKeyVBLMONXFDHNQEO-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-octylsulfinylethyl)cyclohexene?
The IUPAC name of 4-(2-octylsulfinylethyl)cyclohexene (CID 154114972) is 4-(2-octylsulfinylethyl)cyclohexene.
What is the SMILES notation for 4-(2-octylsulfinylethyl)cyclohexene?
The canonical SMILES for 4-(2-octylsulfinylethyl)cyclohexene is CCCCCCCCS(=O)CCC1CC=CCC1.
What is the InChIKey of 4-(2-octylsulfinylethyl)cyclohexene?
The InChIKey is VBLMONXFDHNQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OS/c1-2-3-4-5-6-10-14-18(17)15-13-16-11-8-7-9-12-16/h7-8,16H,2-6,9-15H2,1H3.
What are the key properties of 4-(2-octylsulfinylethyl)cyclohexene?
4-(2-octylsulfinylethyl)cyclohexene has a molecular weight of 270.48 g/mol, XLogP of 4.84, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-octylsulfinylethyl)cyclohexene is sourced from PubChem (CID 154114972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).