5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene

C22H42S4 — CID 164575667

IUPAC5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene
SMILESCC=C(CC(CCCC)CSC)SSC(=CC)CC(CCCC)CSC
InChIInChI=1S/C22H42S4/c1-7-11-13-19(17-23-5)15-21(9-3)25-26-22(10-4)16-20(18-24-6)14-12-8-2/h9-10,19-20H,7-8,11-18H2,1-6H3
InChIKeyPTGDPPKKTIMKOS-UHFFFAOYSA-N
MW434.85 g/mol
LogP9.29
Rot. Bonds17

About 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene

5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene (PubChem CID 164575667) has the molecular formula C22H42S4 and a molecular weight of 434.85 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene
PubChem CID164575667
Molecular FormulaC22H42S4
Molecular Weight434.85 g/mol
Exact Mass434.22
IUPAC Name5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene
SMILESCC=C(CC(CCCC)CSC)SSC(=CC)CC(CCCC)CSC
InChIInChI=1S/C22H42S4/c1-7-11-13-19(17-23-5)15-21(9-3)25-26-22(10-4)16-20(18-24-6)14-12-8-2/h9-10,19-20H,7-8,11-18H2,1-6H3
InChIKeyPTGDPPKKTIMKOS-UHFFFAOYSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene with MolForge

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Related Compounds

(E)-3,7,11,15-tetramethyl-1-methylsulfanylhexadec-2-ene
CID 135231893
1-methyl-4-[(5E)-6-methyl-7,7-bis(methylsulfanyl)hepta-1,5-dien-2-yl]cyclohexene
CID 12453920
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
5-Isopropenyl-2-methyl-3-octylthiocyclohex-1-ene
CID 129819327
2-Methyl-5-isopropenyl-1,3-bis-(allylthio)cyclohex-1-ene
CID 129820351
Germacrene A, 9-(methylthio)-
CID 5362634
8-(3,7-Dimethyloct-6-enylsulfanyl)-2,6-dimethyloct-2-ene
CID 14610171
2,6-Dimethyl-8-methylsulfanyloct-2-ene
CID 18786829
3,7,11,15-Tetramethyl-1-methylsulfanylhexadec-2-ene
CID 53784267
3-(1-Sulfanylheptadec-8-en-2-ylsulfanylmethyl)hexane-1,6-dithiol
CID 53904930
(6R)-2,6-dimethyl-8-methylsulfanyloct-2-ene
CID 58630572
(6S)-2,6-dimethyl-8-methylsulfanyloct-2-ene
CID 58630601

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene?
The IUPAC name of 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene (CID 164575667) is 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene.
What is the SMILES notation for 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene?
The canonical SMILES for 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene is CC=C(CC(CCCC)CSC)SSC(=CC)CC(CCCC)CSC.
What is the InChIKey of 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene?
The InChIKey is PTGDPPKKTIMKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42S4/c1-7-11-13-19(17-23-5)15-21(9-3)25-26-22(10-4)16-20(18-24-6)14-12-8-2/h9-10,19-20H,7-8,11-18H2,1-6H3.
What are the key properties of 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene?
5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene has a molecular weight of 434.85 g/mol, XLogP of 9.29, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-3-[5-(methylsulfanylmethyl)non-2-en-3-yldisulfanyl]non-2-ene is sourced from PubChem (CID 164575667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).