1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane

C18H30S6 — CID 20768493

IUPAC1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
SMILESC=CCSCC(CSSCC(CSCC=C)SCC=C)SCC=C
InChIInChI=1S/C18H30S6/c1-5-9-19-13-17(21-11-7-3)15-23-24-16-18(22-12-8-4)14-20-10-6-2/h5-8,17-18H,1-4,9-16H2
InChIKeyKCZQHJORXULNIR-UHFFFAOYSA-N
MW438.84 g/mol
LogP6.78
Rot. Bonds19

About 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane

1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane (PubChem CID 20768493) has the molecular formula C18H30S6 and a molecular weight of 438.84 g/mol. Its IUPAC name is 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane.

Molecular Properties

Compound Name1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
PubChem CID20768493
Molecular FormulaC18H30S6
Molecular Weight438.84 g/mol
Exact Mass438.07
IUPAC Name1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
SMILESC=CCSCC(CSSCC(CSCC=C)SCC=C)SCC=C
InChIInChI=1S/C18H30S6/c1-5-9-19-13-17(21-11-7-3)15-23-24-16-18(22-12-8-4)14-20-10-6-2/h5-8,17-18H,1-4,9-16H2
InChIKeyKCZQHJORXULNIR-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.84
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane?
The IUPAC name of 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane (CID 20768493) is 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane.
What is the SMILES notation for 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane?
The canonical SMILES for 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane is C=CCSCC(CSSCC(CSCC=C)SCC=C)SCC=C.
What is the InChIKey of 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane?
The InChIKey is KCZQHJORXULNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30S6/c1-5-9-19-13-17(21-11-7-3)15-23-24-16-18(22-12-8-4)14-20-10-6-2/h5-8,17-18H,1-4,9-16H2.
What are the key properties of 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane?
1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane has a molecular weight of 438.84 g/mol, XLogP of 6.78, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane is sourced from PubChem (CID 20768493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).