calcium;carbonic acid;dioxotitanium;hydride

CH4CaO5Ti — CID 174904981

IUPACcalcium;carbonic acid;dioxotitanium;hydride
SMILESO=C(O)O.O=[Ti]=O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Ca.2O.Ti.2H/c2-1(3)4;;;;;;/h(H2,2,3,4);;;;;;/q;+2;;;;2*-1
InChIKeyHNOIDVCACMQOFY-UHFFFAOYSA-N
MW183.98 g/mol
LogP-0.17
Rot. Bonds

About calcium;carbonic acid;dioxotitanium;hydride

calcium;carbonic acid;dioxotitanium;hydride (PubChem CID 174904981) has the molecular formula CH4CaO5Ti and a molecular weight of 183.98 g/mol. Its IUPAC name is calcium;carbonic acid;dioxotitanium;hydride.

Molecular Properties

Compound Namecalcium;carbonic acid;dioxotitanium;hydride
PubChem CID174904981
Molecular FormulaCH4CaO5Ti
Molecular Weight183.98 g/mol
Exact Mass183.92
IUPAC Namecalcium;carbonic acid;dioxotitanium;hydride
SMILESO=C(O)O.O=[Ti]=O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Ca.2O.Ti.2H/c2-1(3)4;;;;;;/h(H2,2,3,4);;;;;;/q;+2;;;;2*-1
InChIKeyHNOIDVCACMQOFY-UHFFFAOYSA-N
XLogP-0.17
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.98
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze calcium;carbonic acid;dioxotitanium;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

lithium;carbonic acid;dioxotitanium;hydride
CID 174767193
tricalcium;carbonic acid;hydride
CID 173419808
dicalcium;carbonic acid;hydride;methane
CID 173330870
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
calcium;carbonic acid;hydride;phosphane
CID 174337787
calcium;carbonic acid;hydride;dihydrochloride
CID 174815432
calcium;disodium;carbonic acid;hydride
CID 174940412
carbonic acid;molybdenum
CID 87095974
calcium;magnesium;alumane;carbonic acid;hydride
CID 175056426
calcium;alumane;carbonic acid;hydride;trihydrate
CID 173174353
sodium;carbonic acid;hydride
CID 173065911
trimagnesium;carbonic acid;hydride
CID 173236021

Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;dioxotitanium;hydride?
The IUPAC name of calcium;carbonic acid;dioxotitanium;hydride (CID 174904981) is calcium;carbonic acid;dioxotitanium;hydride.
What is the SMILES notation for calcium;carbonic acid;dioxotitanium;hydride?
The canonical SMILES for calcium;carbonic acid;dioxotitanium;hydride is O=C(O)O.O=[Ti]=O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;carbonic acid;dioxotitanium;hydride?
The InChIKey is HNOIDVCACMQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ca.2O.Ti.2H/c2-1(3)4;;;;;;/h(H2,2,3,4);;;;;;/q;+2;;;;2*-1.
What are the key properties of calcium;carbonic acid;dioxotitanium;hydride?
calcium;carbonic acid;dioxotitanium;hydride has a molecular weight of 183.98 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;dioxotitanium;hydride is sourced from PubChem (CID 174904981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).