1-(disulfanyl)non-2-ene

C9H18S2 — CID 173381382

IUPAC1-(disulfanyl)non-2-ene
SMILESCCCCCCC=CCSS
InChIInChI=1S/C9H18S2/c1-2-3-4-5-6-7-8-9-11-10/h7-8,10H,2-6,9H2,1H3
InChIKeyLJFNRBDGNJFYNH-UHFFFAOYSA-N
MW190.38 g/mol
LogP4.09
Rot. Bonds7

About 1-(disulfanyl)non-2-ene

1-(disulfanyl)non-2-ene (PubChem CID 173381382) has the molecular formula C9H18S2 and a molecular weight of 190.38 g/mol. Its IUPAC name is 1-(disulfanyl)non-2-ene.

Molecular Properties

Compound Name1-(disulfanyl)non-2-ene
PubChem CID173381382
Molecular FormulaC9H18S2
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC Name1-(disulfanyl)non-2-ene
SMILESCCCCCCC=CCSS
InChIInChI=1S/C9H18S2/c1-2-3-4-5-6-7-8-9-11-10/h7-8,10H,2-6,9H2,1H3
InChIKeyLJFNRBDGNJFYNH-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)non-2-ene?
The IUPAC name of 1-(disulfanyl)non-2-ene (CID 173381382) is 1-(disulfanyl)non-2-ene.
What is the SMILES notation for 1-(disulfanyl)non-2-ene?
The canonical SMILES for 1-(disulfanyl)non-2-ene is CCCCCCC=CCSS.
What is the InChIKey of 1-(disulfanyl)non-2-ene?
The InChIKey is LJFNRBDGNJFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S2/c1-2-3-4-5-6-7-8-9-11-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-(disulfanyl)non-2-ene?
1-(disulfanyl)non-2-ene has a molecular weight of 190.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)non-2-ene is sourced from PubChem (CID 173381382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).