lithium;dodecyl benzenesulfonate;hydride

C18H31LiO3S — CID 173012007

IUPAClithium;dodecyl benzenesulfonate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C18H30O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;/h11-13,15-16H,2-10,14,17H2,1H3;;/q;+1;-1
InChIKeyVEUKROQZCZQCCY-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.43
Rot. Bonds13

About lithium;dodecyl benzenesulfonate;hydride

lithium;dodecyl benzenesulfonate;hydride (PubChem CID 173012007) has the molecular formula C18H31LiO3S and a molecular weight of 334.45 g/mol. Its IUPAC name is lithium;dodecyl benzenesulfonate;hydride.

Molecular Properties

Compound Namelithium;dodecyl benzenesulfonate;hydride
PubChem CID173012007
Molecular FormulaC18H31LiO3S
Molecular Weight334.45 g/mol
Exact Mass334.22
IUPAC Namelithium;dodecyl benzenesulfonate;hydride
SMILESCCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[Li+]
InChIInChI=1S/C18H30O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;/h11-13,15-16H,2-10,14,17H2,1H3;;/q;+1;-1
InChIKeyVEUKROQZCZQCCY-UHFFFAOYSA-N
XLogP2.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;tetradecyl benzenesulfonate
CID 173118998
potassium;hydride;pentadecyl benzenesulfonate
CID 173412768
calcium;decyl benzenesulfonate;hydride
CID 173115657
tetrasodium;dodecyl benzenesulfonate;hydride
CID 175041944
CID 157196428
CID 157196428
CID 161209831
CID 161209831
CID 159146829
CID 159146829
CID 172858891
CID 172858891
hexadecyl benzenesulfonate
CID 5238354
azane;tetradecyl benzenesulfonate
CID 87099151
CID 162312905
CID 162312905
alumane;dodecyl benzenesulfonate
CID 173065737

Frequently Asked Questions

What is the IUPAC name of lithium;dodecyl benzenesulfonate;hydride?
The IUPAC name of lithium;dodecyl benzenesulfonate;hydride (CID 173012007) is lithium;dodecyl benzenesulfonate;hydride.
What is the SMILES notation for lithium;dodecyl benzenesulfonate;hydride?
The canonical SMILES for lithium;dodecyl benzenesulfonate;hydride is CCCCCCCCCCCCOS(=O)(=O)c1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;dodecyl benzenesulfonate;hydride?
The InChIKey is VEUKROQZCZQCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;;/h11-13,15-16H,2-10,14,17H2,1H3;;/q;+1;-1.
What are the key properties of lithium;dodecyl benzenesulfonate;hydride?
lithium;dodecyl benzenesulfonate;hydride has a molecular weight of 334.45 g/mol, XLogP of 2.43, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dodecyl benzenesulfonate;hydride is sourced from PubChem (CID 173012007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).