sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene

C9H19NaO4 — CID 173191525

IUPACsodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.OCC(O)CO.[H-].[Na+]
InChIInChI=1S/C6H10O.C3H8O3.Na.H/c1-3-5-7-6-4-2;4-1-3(6)2-5;;/h3-4H,1-2,5-6H2;3-6H,1-2H2;;/q;;+1;-1
InChIKeyQGRNOSKPOIPYOQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP-3.18
Rot. Bonds6

About sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene

sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene (PubChem CID 173191525) has the molecular formula C9H19NaO4 and a molecular weight of 214.24 g/mol. Its IUPAC name is sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namesodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
PubChem CID173191525
Molecular FormulaC9H19NaO4
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Namesodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.OCC(O)CO.[H-].[Na+]
InChIInChI=1S/C6H10O.C3H8O3.Na.H/c1-3-5-7-6-4-2;4-1-3(6)2-5;;/h3-4H,1-2,5-6H2;3-6H,1-2H2;;/q;;+1;-1
InChIKeyQGRNOSKPOIPYOQ-UHFFFAOYSA-N
XLogP-3.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-3.18
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'}

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Related Compounds

3-prop-2-enoxyprop-1-ene;3-sulfanylpropane-1,2-diol
CID 174776061
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
hexanedioic acid;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 87114607
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
hexa-1,5-diene;propane-1,2,3-triol
CID 91872897
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
butane-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 22165027
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
CID 87625662
CID 87625662
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
CID 172513857
Potassium allyloxide
CID 87828396

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene (CID 173191525) is sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.OCC(O)CO.[H-].[Na+].
What is the InChIKey of sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene?
The InChIKey is QGRNOSKPOIPYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H8O3.Na.H/c1-3-5-7-6-4-2;4-1-3(6)2-5;;/h3-4H,1-2,5-6H2;3-6H,1-2H2;;/q;;+1;-1.
What are the key properties of sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene?
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene has a molecular weight of 214.24 g/mol, XLogP of -3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 173191525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).