sodium;hydride;2-methoxypentadecane-1-sulfonic acid

C16H35NaO4S — CID 173458988

IUPACsodium;hydride;2-methoxypentadecane-1-sulfonic acid
SMILESCCCCCCCCCCCCCC(CS(=O)(=O)O)OC.[H-].[Na+]
InChIInChI=1S/C16H34O4S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(20-2)15-21(17,18)19;;/h16H,3-15H2,1-2H3,(H,17,18,19);;/q;+1;-1
InChIKeyBBQOFQYOZGZFKV-UHFFFAOYSA-N
MW346.51 g/mol
LogP1.71
Rot. Bonds15

About sodium;hydride;2-methoxypentadecane-1-sulfonic acid

sodium;hydride;2-methoxypentadecane-1-sulfonic acid (PubChem CID 173458988) has the molecular formula C16H35NaO4S and a molecular weight of 346.51 g/mol. Its IUPAC name is sodium;hydride;2-methoxypentadecane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-methoxypentadecane-1-sulfonic acid
PubChem CID173458988
Molecular FormulaC16H35NaO4S
Molecular Weight346.51 g/mol
Exact Mass346.22
IUPAC Namesodium;hydride;2-methoxypentadecane-1-sulfonic acid
SMILESCCCCCCCCCCCCCC(CS(=O)(=O)O)OC.[H-].[Na+]
InChIInChI=1S/C16H34O4S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(20-2)15-21(17,18)19;;/h16H,3-15H2,1-2H3,(H,17,18,19);;/q;+1;-1
InChIKeyBBQOFQYOZGZFKV-UHFFFAOYSA-N
XLogP1.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
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'}

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Related Compounds

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CID 18935675
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12-methoxyoctadecan-1-ol
CID 18347175
1-hydroxyhenicosan-3-yl hydrogen sulfate
CID 150445681
(5S)-5-methoxyundecane
CID 118889956
sodium;hydride;2-hydroxyoctadecane-1-sulfonic acid
CID 173433926
2-decyldodecane-1-sulfonic acid
CID 152683852
sodium;2-dodecoxy-3-hydroxypropane-1-sulfonic acid;hydride
CID 173026378
(2S)-2-methylpentadecane-1-sulfonic acid
CID 121405460
9-methoxypentadecan-2-amine
CID 89335213
sodium;hydride;sulfuric acid;undecane
CID 172996516

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methoxypentadecane-1-sulfonic acid?
The IUPAC name of sodium;hydride;2-methoxypentadecane-1-sulfonic acid (CID 173458988) is sodium;hydride;2-methoxypentadecane-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;2-methoxypentadecane-1-sulfonic acid?
The canonical SMILES for sodium;hydride;2-methoxypentadecane-1-sulfonic acid is CCCCCCCCCCCCCC(CS(=O)(=O)O)OC.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methoxypentadecane-1-sulfonic acid?
The InChIKey is BBQOFQYOZGZFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4S.Na.H/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(20-2)15-21(17,18)19;;/h16H,3-15H2,1-2H3,(H,17,18,19);;/q;+1;-1.
What are the key properties of sodium;hydride;2-methoxypentadecane-1-sulfonic acid?
sodium;hydride;2-methoxypentadecane-1-sulfonic acid has a molecular weight of 346.51 g/mol, XLogP of 1.71, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methoxypentadecane-1-sulfonic acid is sourced from PubChem (CID 173458988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).