sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid

C6H15NaO6S — CID 173133422

IUPACsodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid
SMILESC=CCOCCCO.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H12O2.Na.H2O4S.H/c1-2-5-8-6-3-4-7;;1-5(2,3)4;/h2,7H,1,3-6H2;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyJJWSJPYGSJSIAY-UHFFFAOYSA-N
MW238.24 g/mol
LogP-2.96
Rot. Bonds5

About sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid

sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid (PubChem CID 173133422) has the molecular formula C6H15NaO6S and a molecular weight of 238.24 g/mol. Its IUPAC name is sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid
PubChem CID173133422
Molecular FormulaC6H15NaO6S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Namesodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid
SMILESC=CCOCCCO.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C6H12O2.Na.H2O4S.H/c1-2-5-8-6-3-4-7;;1-5(2,3)4;/h2,7H,1,3-6H2;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyJJWSJPYGSJSIAY-UHFFFAOYSA-N
XLogP-2.96
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-2.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
3-prop-2-enoxypropan-1-ol;tris(prop-2-enyl) benzene-1,3,5-tricarboxylate
CID 91257427
disodium;3-[2-(2-prop-2-enoxyethoxy)ethoxy]prop-1-ene;sulfate
CID 173410015
3-prop-2-enoxypropane-1-sulfonate
CID 3556888
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
azane;3-ethoxyprop-1-ene;sulfuric acid
CID 175196080
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
2-butoxyethyl methanesulfonate;2-prop-2-enoxyethanol;2-prop-2-enoxyethyl methanesulfonate
CID 159515193

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid?
The IUPAC name of sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid (CID 173133422) is sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid.
What is the SMILES notation for sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid?
The canonical SMILES for sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid is C=CCOCCCO.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid?
The InChIKey is JJWSJPYGSJSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.Na.H2O4S.H/c1-2-5-8-6-3-4-7;;1-5(2,3)4;/h2,7H,1,3-6H2;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid?
sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid has a molecular weight of 238.24 g/mol, XLogP of -2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid is sourced from PubChem (CID 173133422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).