calcium;ethyl propanoate;hydride

C5H12CaO2 — CID 173132885

IUPACcalcium;ethyl propanoate;hydride
SMILESCCOC(=O)CC.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H10O2.Ca.2H/c1-3-5(6)7-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyNALWKAUAUMPLJA-UHFFFAOYSA-N
MW144.23 g/mol
LogP0.80
Rot. Bonds2

About calcium;ethyl propanoate;hydride

calcium;ethyl propanoate;hydride (PubChem CID 173132885) has the molecular formula C5H12CaO2 and a molecular weight of 144.23 g/mol. Its IUPAC name is calcium;ethyl propanoate;hydride.

Molecular Properties

Compound Namecalcium;ethyl propanoate;hydride
PubChem CID173132885
Molecular FormulaC5H12CaO2
Molecular Weight144.23 g/mol
Exact Mass144.05
IUPAC Namecalcium;ethyl propanoate;hydride
SMILESCCOC(=O)CC.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H10O2.Ca.2H/c1-3-5(6)7-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1
InChIKeyNALWKAUAUMPLJA-UHFFFAOYSA-N
XLogP0.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze calcium;ethyl propanoate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
ethyl propanoate;tin(2+);dichloride
CID 171374953
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethyl propanoate;methanesulfonic acid
CID 159764839
ethyl butanoate;ethyl propanoate
CID 159309203
butan-1-ol;ethyl propanoate
CID 157384460
oxidanium;ethyloxidanium;ethyl propanoate;propanoic acid
CID 161086406
N-ethylpropanamide;ethyl propanoate
CID 90984827
3-O-(3-ethoxy-3-oxopropanoyl) 1-O-ethyl propanedioate
CID 15707103
barium(2+);ethyl 2-hydroxyacetate;hydride
CID 173419911

Frequently Asked Questions

What is the IUPAC name of calcium;ethyl propanoate;hydride?
The IUPAC name of calcium;ethyl propanoate;hydride (CID 173132885) is calcium;ethyl propanoate;hydride.
What is the SMILES notation for calcium;ethyl propanoate;hydride?
The canonical SMILES for calcium;ethyl propanoate;hydride is CCOC(=O)CC.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;ethyl propanoate;hydride?
The InChIKey is NALWKAUAUMPLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Ca.2H/c1-3-5(6)7-4-2;;;/h3-4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of calcium;ethyl propanoate;hydride?
calcium;ethyl propanoate;hydride has a molecular weight of 144.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;ethyl propanoate;hydride is sourced from PubChem (CID 173132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).