4-(hex-5-en-3-yldisulfanyl)hex-1-ene

C12H22S2 — CID 54472813

IUPAC4-(hex-5-en-3-yldisulfanyl)hex-1-ene
SMILESC=CCC(CC)SSC(CC)CC=C
InChIInChI=1S/C12H22S2/c1-5-9-11(7-3)13-14-12(8-4)10-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyXJMPBBYDIGYJBO-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.08
Rot. Bonds9

About 4-(hex-5-en-3-yldisulfanyl)hex-1-ene

4-(hex-5-en-3-yldisulfanyl)hex-1-ene (PubChem CID 54472813) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 4-(hex-5-en-3-yldisulfanyl)hex-1-ene.

Molecular Properties

Compound Name4-(hex-5-en-3-yldisulfanyl)hex-1-ene
PubChem CID54472813
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name4-(hex-5-en-3-yldisulfanyl)hex-1-ene
SMILESC=CCC(CC)SSC(CC)CC=C
InChIInChI=1S/C12H22S2/c1-5-9-11(7-3)13-14-12(8-4)10-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyXJMPBBYDIGYJBO-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(But-3-en-1-yl)disulfanyl]but-1-ene
CID 71393173
1-(Hex-2-enyldisulfanyl)hex-2-ene
CID 149911294
(E)-1-[[(E)-hex-2-enyl]disulfanyl]hex-2-ene
CID 101950021
6-(Hex-5-enyldisulfanyl)hex-1-ene
CID 57200305
3-Ethyl-1,2-dithi-5-ene
CID 6430025
(E)-4-[[(E)-hex-4-en-3-yl]disulfanyl]hex-2-ene
CID 129712290
3-(Prop-2-enyldisulfanyl)pentane
CID 163195820
Pentenyl sulfide
CID 57139871
sec-Butyl trans-1-butenyl disulfide
CID 11636908
(Z)-1-(But-1-en-1-yl)-2-(sec-butyl)disulfane
CID 11701129
Hexa-1,5-dienyl trisulfide
CID 157009856
(E)-1-butylsulfanylhex-1-ene
CID 13468726

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-en-3-yldisulfanyl)hex-1-ene?
The IUPAC name of 4-(hex-5-en-3-yldisulfanyl)hex-1-ene (CID 54472813) is 4-(hex-5-en-3-yldisulfanyl)hex-1-ene.
What is the SMILES notation for 4-(hex-5-en-3-yldisulfanyl)hex-1-ene?
The canonical SMILES for 4-(hex-5-en-3-yldisulfanyl)hex-1-ene is C=CCC(CC)SSC(CC)CC=C.
What is the InChIKey of 4-(hex-5-en-3-yldisulfanyl)hex-1-ene?
The InChIKey is XJMPBBYDIGYJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-5-9-11(7-3)13-14-12(8-4)10-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 4-(hex-5-en-3-yldisulfanyl)hex-1-ene?
4-(hex-5-en-3-yldisulfanyl)hex-1-ene has a molecular weight of 230.44 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-en-3-yldisulfanyl)hex-1-ene is sourced from PubChem (CID 54472813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).