3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene

C12H18S2 — CID 86120832

IUPAC3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene
SMILESC1=CC(SSC2C=CCCC2)CCC1
InChIInChI=1S/C12H18S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h3,5,7,9,11-12H,1-2,4,6,8,10H2
InChIKeyPAUYAFKCLRTSKA-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.59
Rot. Bonds3

About 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene

3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene (PubChem CID 86120832) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene
PubChem CID86120832
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Name3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene
SMILESC1=CC(SSC2C=CCCC2)CCC1
InChIInChI=1S/C12H18S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h3,5,7,9,11-12H,1-2,4,6,8,10H2
InChIKeyPAUYAFKCLRTSKA-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.59
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene?
The IUPAC name of 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene (CID 86120832) is 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene.
What is the SMILES notation for 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene?
The canonical SMILES for 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene is C1=CC(SSC2C=CCCC2)CCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene?
The InChIKey is PAUYAFKCLRTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h3,5,7,9,11-12H,1-2,4,6,8,10H2.
What are the key properties of 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene?
3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene has a molecular weight of 226.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene is sourced from PubChem (CID 86120832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).