1-(hex-1-enyldisulfanyl)hex-1-ene

C12H22S2 — CID 57185790

IUPAC1-(hex-1-enyldisulfanyl)hex-1-ene
SMILESCCCCC=CSSC=CCCCC
InChIInChI=1S/C12H22S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyRFHCBNRCHHTSRA-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.78
Rot. Bonds9

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

1-(hex-1-enyldisulfanyl)hex-1-ene (PubChem CID 57185790) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 1-(hex-1-enyldisulfanyl)hex-1-ene.

Molecular Properties

Compound Name1-(hex-1-enyldisulfanyl)hex-1-ene
PubChem CID57185790
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name1-(hex-1-enyldisulfanyl)hex-1-ene
SMILESCCCCC=CSSC=CCCCC
InChIInChI=1S/C12H22S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKeyRFHCBNRCHHTSRA-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hex-1-enyldisulfanyl)hex-1-ene?
The IUPAC name of 1-(hex-1-enyldisulfanyl)hex-1-ene (CID 57185790) is 1-(hex-1-enyldisulfanyl)hex-1-ene.
What is the SMILES notation for 1-(hex-1-enyldisulfanyl)hex-1-ene?
The canonical SMILES for 1-(hex-1-enyldisulfanyl)hex-1-ene is CCCCC=CSSC=CCCCC.
What is the InChIKey of 1-(hex-1-enyldisulfanyl)hex-1-ene?
The InChIKey is RFHCBNRCHHTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(hex-1-enyldisulfanyl)hex-1-ene?
1-(hex-1-enyldisulfanyl)hex-1-ene has a molecular weight of 230.44 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hex-1-enyldisulfanyl)hex-1-ene is sourced from PubChem (CID 57185790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).