sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite

C6H14NaO5P — CID 173408403

IUPACsodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite
SMILESC=CCOC(O)(CC)OP(O)O.[H-].[Na+]
InChIInChI=1S/C6H13O5P.Na.H/c1-3-5-10-6(7,4-2)11-12(8)9;;/h3,7-9H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyQOQLJMDGZQGTCB-UHFFFAOYSA-N
MW220.14 g/mol
LogP-2.41
Rot. Bonds6

About sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite

sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite (PubChem CID 173408403) has the molecular formula C6H14NaO5P and a molecular weight of 220.14 g/mol. Its IUPAC name is sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite.

Molecular Properties

Compound Namesodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite
PubChem CID173408403
Molecular FormulaC6H14NaO5P
Molecular Weight220.14 g/mol
Exact Mass220.05
IUPAC Namesodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite
SMILESC=CCOC(O)(CC)OP(O)O.[H-].[Na+]
InChIInChI=1S/C6H13O5P.Na.H/c1-3-5-10-6(7,4-2)11-12(8)9;;/h3,7-9H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyQOQLJMDGZQGTCB-UHFFFAOYSA-N
XLogP-2.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,2-diethoxy-1-prop-2-enoxyethanol
CID 155338451
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
2-ethyl-2-prop-2-enoxypropane-1,3-diol
CID 11457842
sodium;hydride;prop-2-enyl propyl hydrogen phosphite
CID 173408314
1,1-dibromopropyl dihydrogen phosphite
CID 88785187
bis(prop-2-enyl dihydrogen phosphite);dihydrochloride
CID 173452860
3-ethylhex-4-en-3-ol
CID 54219311
3-prop-2-enoxyheptane-2,3,5,6-tetrol
CID 91325280
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
dihydroxyphosphanyl [2-[dihydroxyphosphanyloxy(hydroxy)phosphanyl]oxy-2-ethylbutyl] hydrogen phosphite
CID 18517202
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol
CID 158686302

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite?
The IUPAC name of sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite (CID 173408403) is sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite.
What is the SMILES notation for sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite?
The canonical SMILES for sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite is C=CCOC(O)(CC)OP(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite?
The InChIKey is QOQLJMDGZQGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P.Na.H/c1-3-5-10-6(7,4-2)11-12(8)9;;/h3,7-9H,1,4-5H2,2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite?
sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite has a molecular weight of 220.14 g/mol, XLogP of -2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite is sourced from PubChem (CID 173408403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).