4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene

C16H26OS — CID 154104905

IUPAC4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene
SMILESO=S(CCC1CC=CCC1)CCC1CC=CCC1
InChIInChI=1S/C16H26OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2
InChIKeyWSLPLECPZDSNJK-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.23
Rot. Bonds6

About 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene

4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene (PubChem CID 154104905) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene.

Molecular Properties

Compound Name4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene
PubChem CID154104905
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene
SMILESO=S(CCC1CC=CCC1)CCC1CC=CCC1
InChIInChI=1S/C16H26OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2
InChIKeyWSLPLECPZDSNJK-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,4R)-3-(2-methylprop-1-enyl)-2lambda4-thiabicyclo[2.2.2]oct-5-ene 2-oxide
CID 102096401
1-Ethylsulfonyl-4-methylcyclohexene
CID 57221588
4-ethyl-2,6-dimethyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 91080037
4-Methyl-3-methylsulfinylcyclohexene
CID 118892382
3-(Methylsulfinylmethyl)cyclohexene
CID 144813970
2-(6-Methylcyclohex-3-en-1-yl)sulfanylcyclohexa-1,5-diene-1-sulfinate
CID 149328429
3,4,4a,5-tetrahydro-2H-thiochromene 1-oxide
CID 150607286
4-[2-(4-Ethenylcyclohexyl)sulfinylethyl]cyclohexene
CID 153789563
1-Ethenyl-3-(3-ethenylcyclohexyl)sulfinylcyclohexane
CID 154096724
1-Ethenyl-4-(4-ethenylcyclohexyl)sulfinylcyclohexane
CID 154102427
4-(2-Octylsulfinylethyl)cyclohexene
CID 154114972
2-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]cyclohexa-1,3-diene
CID 159459669

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene?
The IUPAC name of 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene (CID 154104905) is 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene.
What is the SMILES notation for 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene?
The canonical SMILES for 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene is O=S(CCC1CC=CCC1)CCC1CC=CCC1.
What is the InChIKey of 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene?
The InChIKey is WSLPLECPZDSNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2.
What are the key properties of 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene?
4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene has a molecular weight of 266.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclohex-3-en-1-ylethylsulfinyl)ethyl]cyclohexene is sourced from PubChem (CID 154104905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).