sodium;hydride;octadecylbenzene;sulfuric acid

C24H45NaO4S — CID 173411990

IUPACsodium;hydride;octadecylbenzene;sulfuric acid
SMILESCCCCCCCCCCCCCCCCCCc1ccccc1.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C24H42.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;;1-5(2,3)4;/h17,19-20,22-23H,2-16,18,21H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyOMBDUNYISYWUSV-UHFFFAOYSA-N
MW452.68 g/mol
LogP4.95
Rot. Bonds17

About sodium;hydride;octadecylbenzene;sulfuric acid

sodium;hydride;octadecylbenzene;sulfuric acid (PubChem CID 173411990) has the molecular formula C24H45NaO4S and a molecular weight of 452.68 g/mol. Its IUPAC name is sodium;hydride;octadecylbenzene;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;octadecylbenzene;sulfuric acid
PubChem CID173411990
Molecular FormulaC24H45NaO4S
Molecular Weight452.68 g/mol
Exact Mass452.29
IUPAC Namesodium;hydride;octadecylbenzene;sulfuric acid
SMILESCCCCCCCCCCCCCCCCCCc1ccccc1.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C24H42.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;;1-5(2,3)4;/h17,19-20,22-23H,2-16,18,21H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyOMBDUNYISYWUSV-UHFFFAOYSA-N
XLogP4.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.68
LogP ≤ 54.95
H-Bond Donors ≤ 52
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'}

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Related Compounds

sodium;hydride;pentadecylbenzene
CID 173461904
disodium;undecylbenzene;sulfate
CID 159605897
hexylbenzene;hydrogen peroxide
CID 90001206
potassium;hydride;octadecylbenzene
CID 173344678
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
carbonic acid;pentylbenzene
CID 157127683
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octadecylbenzene;sulfuric acid?
The IUPAC name of sodium;hydride;octadecylbenzene;sulfuric acid (CID 173411990) is sodium;hydride;octadecylbenzene;sulfuric acid.
What is the SMILES notation for sodium;hydride;octadecylbenzene;sulfuric acid?
The canonical SMILES for sodium;hydride;octadecylbenzene;sulfuric acid is CCCCCCCCCCCCCCCCCCc1ccccc1.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;octadecylbenzene;sulfuric acid?
The InChIKey is OMBDUNYISYWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;;1-5(2,3)4;/h17,19-20,22-23H,2-16,18,21H2,1H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;octadecylbenzene;sulfuric acid?
sodium;hydride;octadecylbenzene;sulfuric acid has a molecular weight of 452.68 g/mol, XLogP of 4.95, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octadecylbenzene;sulfuric acid is sourced from PubChem (CID 173411990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).