calcium;butanoic acid;hydride;titanium

C4H10CaO2Ti — CID 173386506

IUPACcalcium;butanoic acid;hydride;titanium
SMILESCCCC(=O)O.[Ca+2].[H-].[H-].[Ti]
InChIInChI=1S/C4H8O2.Ca.Ti.2H/c1-2-3-4(5)6;;;;/h2-3H2,1H3,(H,5,6);;;;/q;+2;;2*-1
InChIKeyXKQOITVOUOVGHB-UHFFFAOYSA-N
MW178.07 g/mol
LogP0.71
Rot. Bonds2

About calcium;butanoic acid;hydride;titanium

calcium;butanoic acid;hydride;titanium (PubChem CID 173386506) has the molecular formula C4H10CaO2Ti and a molecular weight of 178.07 g/mol. Its IUPAC name is calcium;butanoic acid;hydride;titanium.

Molecular Properties

Compound Namecalcium;butanoic acid;hydride;titanium
PubChem CID173386506
Molecular FormulaC4H10CaO2Ti
Molecular Weight178.07 g/mol
Exact Mass177.98
IUPAC Namecalcium;butanoic acid;hydride;titanium
SMILESCCCC(=O)O.[Ca+2].[H-].[H-].[Ti]
InChIInChI=1S/C4H8O2.Ca.Ti.2H/c1-2-3-4(5)6;;;;/h2-3H2,1H3,(H,5,6);;;;/q;+2;;2*-1
InChIKeyXKQOITVOUOVGHB-UHFFFAOYSA-N
XLogP0.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze calcium;butanoic acid;hydride;titanium 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

sodium;butanoic acid;hydride;hydrochloride
CID 174274884
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
CID 88693438
CID 88693438
CID 87208956
CID 87208956

Frequently Asked Questions

What is the IUPAC name of calcium;butanoic acid;hydride;titanium?
The IUPAC name of calcium;butanoic acid;hydride;titanium (CID 173386506) is calcium;butanoic acid;hydride;titanium.
What is the SMILES notation for calcium;butanoic acid;hydride;titanium?
The canonical SMILES for calcium;butanoic acid;hydride;titanium is CCCC(=O)O.[Ca+2].[H-].[H-].[Ti].
What is the InChIKey of calcium;butanoic acid;hydride;titanium?
The InChIKey is XKQOITVOUOVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Ca.Ti.2H/c1-2-3-4(5)6;;;;/h2-3H2,1H3,(H,5,6);;;;/q;+2;;2*-1.
What are the key properties of calcium;butanoic acid;hydride;titanium?
calcium;butanoic acid;hydride;titanium has a molecular weight of 178.07 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;butanoic acid;hydride;titanium is sourced from PubChem (CID 173386506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).