sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate

C8H13NaO5 — CID 175477931

IUPACsodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
SMILESCCC(=O)OCC(=O)OC(=O)CC.[H-].[Na+]
InChIInChI=1S/C8H12O5.Na.H/c1-3-6(9)12-5-8(11)13-7(10)4-2;;/h3-5H2,1-2H3;;/q;+1;-1
InChIKeyYRGZPCUWPNSOQH-UHFFFAOYSA-N
MW212.18 g/mol
LogP-2.46
Rot. Bonds4

About sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate

sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate (PubChem CID 175477931) has the molecular formula C8H13NaO5 and a molecular weight of 212.18 g/mol. Its IUPAC name is sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate.

Molecular Properties

Compound Namesodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
PubChem CID175477931
Molecular FormulaC8H13NaO5
Molecular Weight212.18 g/mol
Exact Mass212.07
IUPAC Namesodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
SMILESCCC(=O)OCC(=O)OC(=O)CC.[H-].[Na+]
InChIInChI=1S/C8H12O5.Na.H/c1-3-6(9)12-5-8(11)13-7(10)4-2;;/h3-5H2,1-2H3;;/q;+1;-1
InChIKeyYRGZPCUWPNSOQH-UHFFFAOYSA-N
XLogP-2.46
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
propanoyl (113C)propanoate
CID 91179573
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
disodium;carboxy propanoate;hydride
CID 174329569
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
silylmethyl propanoate
CID 152513576
ethyl propanoate;tin(2+);dichloride
CID 171374953
dipropanoyl butanedioate
CID 146216618
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate?
The IUPAC name of sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate (CID 175477931) is sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate.
What is the SMILES notation for sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate?
The canonical SMILES for sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate is CCC(=O)OCC(=O)OC(=O)CC.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate?
The InChIKey is YRGZPCUWPNSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5.Na.H/c1-3-6(9)12-5-8(11)13-7(10)4-2;;/h3-5H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate?
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate has a molecular weight of 212.18 g/mol, XLogP of -2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate is sourced from PubChem (CID 175477931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).