6-(hex-5-enyldisulfanyl)hex-1-ene

C12H22S2 — CID 57200305

IUPAC6-(hex-5-enyldisulfanyl)hex-1-ene
SMILESC=CCCCCSSCCCCC=C
InChIInChI=1S/C12H22S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKeySXBJZESYMYXPBU-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.08
Rot. Bonds11

About 6-(hex-5-enyldisulfanyl)hex-1-ene

6-(hex-5-enyldisulfanyl)hex-1-ene (PubChem CID 57200305) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 6-(hex-5-enyldisulfanyl)hex-1-ene.

Molecular Properties

Compound Name6-(hex-5-enyldisulfanyl)hex-1-ene
PubChem CID57200305
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name6-(hex-5-enyldisulfanyl)hex-1-ene
SMILESC=CCCCCSSCCCCC=C
InChIInChI=1S/C12H22S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKeySXBJZESYMYXPBU-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-enyldisulfanyl)hex-1-ene?
The IUPAC name of 6-(hex-5-enyldisulfanyl)hex-1-ene (CID 57200305) is 6-(hex-5-enyldisulfanyl)hex-1-ene.
What is the SMILES notation for 6-(hex-5-enyldisulfanyl)hex-1-ene?
The canonical SMILES for 6-(hex-5-enyldisulfanyl)hex-1-ene is C=CCCCCSSCCCCC=C.
What is the InChIKey of 6-(hex-5-enyldisulfanyl)hex-1-ene?
The InChIKey is SXBJZESYMYXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-12H2.
What are the key properties of 6-(hex-5-enyldisulfanyl)hex-1-ene?
6-(hex-5-enyldisulfanyl)hex-1-ene has a molecular weight of 230.44 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-5-enyldisulfanyl)hex-1-ene is sourced from PubChem (CID 57200305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).