lithium;hydride;tetradec-1-ene-1-sulfonic acid

C14H29LiO3S — CID 173398545

IUPAClithium;hydride;tetradec-1-ene-1-sulfonic acid
SMILESCCCCCCCCCCCCC=CS(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C14H28O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;;/h13-14H,2-12H2,1H3,(H,15,16,17);;/q;+1;-1
InChIKeyUABXICAMWJMDKW-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.82
Rot. Bonds12

About lithium;hydride;tetradec-1-ene-1-sulfonic acid

lithium;hydride;tetradec-1-ene-1-sulfonic acid (PubChem CID 173398545) has the molecular formula C14H29LiO3S and a molecular weight of 284.39 g/mol. Its IUPAC name is lithium;hydride;tetradec-1-ene-1-sulfonic acid.

Molecular Properties

Compound Namelithium;hydride;tetradec-1-ene-1-sulfonic acid
PubChem CID173398545
Molecular FormulaC14H29LiO3S
Molecular Weight284.39 g/mol
Exact Mass284.20
IUPAC Namelithium;hydride;tetradec-1-ene-1-sulfonic acid
SMILESCCCCCCCCCCCCC=CS(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C14H28O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;;/h13-14H,2-12H2,1H3,(H,15,16,17);;/q;+1;-1
InChIKeyUABXICAMWJMDKW-UHFFFAOYSA-N
XLogP1.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;hydride;tetradec-1-ene-1-sulfonic 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

sodium;hydride;oct-1-ene-1-sulfonic acid
CID 173113775
(E)-octadec-1-ene-1-sulfonic acid
CID 6437334
sodium (Z)-octadec-1-ene-1-sulfonate
CID 23695355
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
disodium;hydride;tetradec-1-enylsulfonyl tetradec-1-ene-1-sulfonate
CID 173209963
sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346
(E)-octacos-2-ene-1-sulfonic acid
CID 90188027
tetradec-3-ene-1-sulfonic acid
CID 54404053
(Z)-tridec-2-ene-1-sulfonic acid
CID 139805956
nonadec-2-ene-1-sulfonic acid
CID 54546820
hexadec-4-ene-1-sulfonic acid
CID 54039350
1-(bromomethylsulfonyl)dec-1-ene
CID 54400319

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;tetradec-1-ene-1-sulfonic acid?
The IUPAC name of lithium;hydride;tetradec-1-ene-1-sulfonic acid (CID 173398545) is lithium;hydride;tetradec-1-ene-1-sulfonic acid.
What is the SMILES notation for lithium;hydride;tetradec-1-ene-1-sulfonic acid?
The canonical SMILES for lithium;hydride;tetradec-1-ene-1-sulfonic acid is CCCCCCCCCCCCC=CS(=O)(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;tetradec-1-ene-1-sulfonic acid?
The InChIKey is UABXICAMWJMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;;/h13-14H,2-12H2,1H3,(H,15,16,17);;/q;+1;-1.
What are the key properties of lithium;hydride;tetradec-1-ene-1-sulfonic acid?
lithium;hydride;tetradec-1-ene-1-sulfonic acid has a molecular weight of 284.39 g/mol, XLogP of 1.82, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;tetradec-1-ene-1-sulfonic acid is sourced from PubChem (CID 173398545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).