dicalcium;hydride;bis(4-oxopentanoic acid)

C10H20Ca2O6 — CID 174942614

IUPACdicalcium;hydride;bis(4-oxopentanoic acid)
SMILESCC(=O)CCC(=O)O.CC(=O)CCC(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2C5H8O3.2Ca.4H/c2*1-4(6)2-3-5(7)8;;;;;;/h2*2-3H2,1H3,(H,7,8);;;;;;/q;;2*+2;4*-1
InChIKeyRKWGATQQGVUBGY-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.57
Rot. Bonds6

About dicalcium;hydride;bis(4-oxopentanoic acid)

dicalcium;hydride;bis(4-oxopentanoic acid) (PubChem CID 174942614) has the molecular formula C10H20Ca2O6 and a molecular weight of 316.42 g/mol. Its IUPAC name is dicalcium;hydride;bis(4-oxopentanoic acid).

Molecular Properties

Compound Namedicalcium;hydride;bis(4-oxopentanoic acid)
PubChem CID174942614
Molecular FormulaC10H20Ca2O6
Molecular Weight316.42 g/mol
Exact Mass316.05
IUPAC Namedicalcium;hydride;bis(4-oxopentanoic acid)
SMILESCC(=O)CCC(=O)O.CC(=O)CCC(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2C5H8O3.2Ca.4H/c2*1-4(6)2-3-5(7)8;;;;;;/h2*2-3H2,1H3,(H,7,8);;;;;;/q;;2*+2;4*-1
InChIKeyRKWGATQQGVUBGY-UHFFFAOYSA-N
XLogP0.57
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze dicalcium;hydride;bis(4-oxopentanoic acid) 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

4-oxopentanoic acid;zinc
CID 87190982
butanoic acid;4-oxopentanoic acid
CID 87275354
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
hexane-2,5-dione
CID 8035
sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
ethane-1,2-diol;4-oxopentanoic acid;bis(2-sulfanylacetic acid)
CID 174753066
butan-1-ol;4-oxopentanoic acid
CID 175236789
2-aminoguanidine;4-oxopentanoic acid;hydrochloride
CID 174454338
acetamide;butanedioic acid
CID 175267619
4,9-dioxodecanoic acid
CID 87255764
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011

Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;bis(4-oxopentanoic acid)?
The IUPAC name of dicalcium;hydride;bis(4-oxopentanoic acid) (CID 174942614) is dicalcium;hydride;bis(4-oxopentanoic acid).
What is the SMILES notation for dicalcium;hydride;bis(4-oxopentanoic acid)?
The canonical SMILES for dicalcium;hydride;bis(4-oxopentanoic acid) is CC(=O)CCC(=O)O.CC(=O)CCC(=O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;hydride;bis(4-oxopentanoic acid)?
The InChIKey is RKWGATQQGVUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O3.2Ca.4H/c2*1-4(6)2-3-5(7)8;;;;;;/h2*2-3H2,1H3,(H,7,8);;;;;;/q;;2*+2;4*-1.
What are the key properties of dicalcium;hydride;bis(4-oxopentanoic acid)?
dicalcium;hydride;bis(4-oxopentanoic acid) has a molecular weight of 316.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydride;bis(4-oxopentanoic acid) is sourced from PubChem (CID 174942614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).