sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid

C6H9NaO5S — CID 175226552

IUPACsodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
SMILESC=CC(=O)OC=CCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O5S.Na.H/c1-2-6(7)11-4-3-5-12(8,9)10;;/h2-4H,1,5H2,(H,8,9,10);;/q;+1;-1
InChIKeyBIVUPNJJTPXODG-UHFFFAOYSA-N
MW216.19 g/mol
LogP-2.77
Rot. Bonds4

About sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid

sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid (PubChem CID 175226552) has the molecular formula C6H9NaO5S and a molecular weight of 216.19 g/mol. Its IUPAC name is sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
PubChem CID175226552
Molecular FormulaC6H9NaO5S
Molecular Weight216.19 g/mol
Exact Mass216.01
IUPAC Namesodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
SMILESC=CC(=O)OC=CCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O5S.Na.H/c1-2-6(7)11-4-3-5-12(8,9)10;;/h2-4H,1,5H2,(H,8,9,10);;/q;+1;-1
InChIKeyBIVUPNJJTPXODG-UHFFFAOYSA-N
XLogP-2.77
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;prop-2-enoyloxymethanesulfonic acid
CID 173366392
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
4-methylpent-1-enyl prop-2-enoate
CID 141310701
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
CID 173239451
hex-1-enyl prop-2-enoate
CID 54292849
bis(2-prop-2-enoyloxyethenyl) butanedioate
CID 175454697
hept-1-enyl prop-2-enoate
CID 91566435
lithium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173036299
tetradec-1-enyl prop-2-enoate
CID 140580779
magnesium;hydride;2-prop-2-enoyloxyethanesulfonic acid
CID 173327637
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935
3-oxoprop-1-enyl prop-2-enoate
CID 54470635

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid?
The IUPAC name of sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid (CID 175226552) is sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid?
The canonical SMILES for sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid is C=CC(=O)OC=CCS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid?
The InChIKey is BIVUPNJJTPXODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5S.Na.H/c1-2-6(7)11-4-3-5-12(8,9)10;;/h2-4H,1,5H2,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid?
sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid has a molecular weight of 216.19 g/mol, XLogP of -2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 175226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).