dodecan-1-ol;sulfane;sulfuric acid

C12H30O5S2 — CID 174348674

IUPACdodecan-1-ol;sulfane;sulfuric acid
SMILESCCCCCCCCCCCCO.O=S(=O)(O)O.S
InChIInChI=1S/C12H26O.H2O4S.H2S/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-5(2,3)4;/h13H,2-12H2,1H3;(H2,1,2,3,4);1H2
InChIKeyOEPDCIMHYWGFGE-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.36
Rot. Bonds10

About dodecan-1-ol;sulfane;sulfuric acid

dodecan-1-ol;sulfane;sulfuric acid (PubChem CID 174348674) has the molecular formula C12H30O5S2 and a molecular weight of 318.50 g/mol. Its IUPAC name is dodecan-1-ol;sulfane;sulfuric acid.

Molecular Properties

Compound Namedodecan-1-ol;sulfane;sulfuric acid
PubChem CID174348674
Molecular FormulaC12H30O5S2
Molecular Weight318.50 g/mol
Exact Mass318.15
IUPAC Namedodecan-1-ol;sulfane;sulfuric acid
SMILESCCCCCCCCCCCCO.O=S(=O)(O)O.S
InChIInChI=1S/C12H26O.H2O4S.H2S/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-5(2,3)4;/h13H,2-12H2,1H3;(H2,1,2,3,4);1H2
InChIKeyOEPDCIMHYWGFGE-UHFFFAOYSA-N
XLogP3.36
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dodecan-1-ol;sulfane;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sulfuric acid;tetradecan-1-ol
CID 87699970
sulfuric acid;tetradecane;tetradecan-1-ol;hydrate
CID 174900097
octan-1-ol;sulfuric acid;zinc
CID 174737842
pentan-1-ol;sulfuric acid
CID 87844098
magnesium;dodecan-1-ol;hydride;sulfuric acid
CID 174836259
sodium;dodecan-1-ol;hydride;sulfuric acid;hydrate
CID 173456985
sodium;hydride;pentan-1-ol;sulfuric acid
CID 175097757
sulfuric acid;tridecane
CID 91872702
CID 87750430
CID 87750430
sodium;sulfuric acid;tetradecane
CID 170922474
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;sulfane;sulfuric acid?
The IUPAC name of dodecan-1-ol;sulfane;sulfuric acid (CID 174348674) is dodecan-1-ol;sulfane;sulfuric acid.
What is the SMILES notation for dodecan-1-ol;sulfane;sulfuric acid?
The canonical SMILES for dodecan-1-ol;sulfane;sulfuric acid is CCCCCCCCCCCCO.O=S(=O)(O)O.S.
What is the InChIKey of dodecan-1-ol;sulfane;sulfuric acid?
The InChIKey is OEPDCIMHYWGFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.H2O4S.H2S/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-5(2,3)4;/h13H,2-12H2,1H3;(H2,1,2,3,4);1H2.
What are the key properties of dodecan-1-ol;sulfane;sulfuric acid?
dodecan-1-ol;sulfane;sulfuric acid has a molecular weight of 318.50 g/mol, XLogP of 3.36, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;sulfane;sulfuric acid is sourced from PubChem (CID 174348674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).