1-(2-dodecylsulfanylethylsulfanyl)dodecane

C26H54S2 — CID 24875

IUPAC1-(2-dodecylsulfanylethylsulfanyl)dodecane
SMILESCCCCCCCCCCCCSCCSCCCCCCCCCCCC
InChIInChI=1S/C26H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-26-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKeyWXXCXXVZIQCGNZ-UHFFFAOYSA-N
MW430.85 g/mol
LogP10.29
Rot. Bonds25

About 1-(2-dodecylsulfanylethylsulfanyl)dodecane

1-(2-dodecylsulfanylethylsulfanyl)dodecane (PubChem CID 24875) has the molecular formula C26H54S2 and a molecular weight of 430.85 g/mol. Its IUPAC name is 1-(2-dodecylsulfanylethylsulfanyl)dodecane.

Molecular Properties

Compound Name1-(2-dodecylsulfanylethylsulfanyl)dodecane
PubChem CID24875
Molecular FormulaC26H54S2
Molecular Weight430.85 g/mol
Exact Mass430.37
IUPAC Name1-(2-dodecylsulfanylethylsulfanyl)dodecane
SMILESCCCCCCCCCCCCSCCSCCCCCCCCCCCC
InChIInChI=1S/C26H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-26-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKeyWXXCXXVZIQCGNZ-UHFFFAOYSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.85
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecylsulfanylethylsulfanyl)dodecane?
The IUPAC name of 1-(2-dodecylsulfanylethylsulfanyl)dodecane (CID 24875) is 1-(2-dodecylsulfanylethylsulfanyl)dodecane.
What is the SMILES notation for 1-(2-dodecylsulfanylethylsulfanyl)dodecane?
The canonical SMILES for 1-(2-dodecylsulfanylethylsulfanyl)dodecane is CCCCCCCCCCCCSCCSCCCCCCCCCCCC.
What is the InChIKey of 1-(2-dodecylsulfanylethylsulfanyl)dodecane?
The InChIKey is WXXCXXVZIQCGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-26-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3.
What are the key properties of 1-(2-dodecylsulfanylethylsulfanyl)dodecane?
1-(2-dodecylsulfanylethylsulfanyl)dodecane has a molecular weight of 430.85 g/mol, XLogP of 10.29, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecylsulfanylethylsulfanyl)dodecane is sourced from PubChem (CID 24875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).