1-(dodecylhexasulfanyl)dodecane

C24H50S6 — CID 139607418

IUPAC1-(dodecylhexasulfanyl)dodecane
SMILESCCCCCCCCCCCCSSSSSSCCCCCCCCCCCC
InChIInChI=1S/C24H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyDGCNQNREQIAWCJ-UHFFFAOYSA-N
MW531.07 g/mol
LogP12.80
Rot. Bonds27

About 1-(dodecylhexasulfanyl)dodecane

1-(dodecylhexasulfanyl)dodecane (PubChem CID 139607418) has the molecular formula C24H50S6 and a molecular weight of 531.07 g/mol. Its IUPAC name is 1-(dodecylhexasulfanyl)dodecane.

Molecular Properties

Compound Name1-(dodecylhexasulfanyl)dodecane
PubChem CID139607418
Molecular FormulaC24H50S6
Molecular Weight531.07 g/mol
Exact Mass530.22
IUPAC Name1-(dodecylhexasulfanyl)dodecane
SMILESCCCCCCCCCCCCSSSSSSCCCCCCCCCCCC
InChIInChI=1S/C24H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyDGCNQNREQIAWCJ-UHFFFAOYSA-N
XLogP12.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.07
LogP ≤ 512.80
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'}

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Related Compounds

1-(octadecylhexasulfanyl)octadecane
CID 54412885
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-(butyltrisulfanyl)octane
CID 141156696
1-(tetrasulfanyl)nonane
CID 91506220
1-(hydroxydisulfanyl)hexadecane
CID 87645981
1-butylsulfanyl-13-[2-[2-[9-(decyltrisulfanyl)nonyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]tridecane
CID 162484425
1-(trisulfanyl)nonane
CID 173204231
1-(propylheptasulfanyl)propane
CID 14123249
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyltetradecane
CID 87077491

Frequently Asked Questions

What is the IUPAC name of 1-(dodecylhexasulfanyl)dodecane?
The IUPAC name of 1-(dodecylhexasulfanyl)dodecane (CID 139607418) is 1-(dodecylhexasulfanyl)dodecane.
What is the SMILES notation for 1-(dodecylhexasulfanyl)dodecane?
The canonical SMILES for 1-(dodecylhexasulfanyl)dodecane is CCCCCCCCCCCCSSSSSSCCCCCCCCCCCC.
What is the InChIKey of 1-(dodecylhexasulfanyl)dodecane?
The InChIKey is DGCNQNREQIAWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1-(dodecylhexasulfanyl)dodecane?
1-(dodecylhexasulfanyl)dodecane has a molecular weight of 531.07 g/mol, XLogP of 12.80, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecylhexasulfanyl)dodecane is sourced from PubChem (CID 139607418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).