calcium;alumane;carbonic acid;hydride;trihydrate

CH13AlCaO6 — CID 173174353

IUPACcalcium;alumane;carbonic acid;hydride;trihydrate
SMILESO.O.O.O=C(O)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Al.Ca.3H2O.5H/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);;;3*1H2;;;;;/q;;+2;;;;;;;2*-1
InChIKeyOBLBAWIIYXPLMQ-UHFFFAOYSA-N
MW188.17 g/mol
LogP-3.59
Rot. Bonds

About calcium;alumane;carbonic acid;hydride;trihydrate

calcium;alumane;carbonic acid;hydride;trihydrate (PubChem CID 173174353) has the molecular formula CH13AlCaO6 and a molecular weight of 188.17 g/mol. Its IUPAC name is calcium;alumane;carbonic acid;hydride;trihydrate.

Molecular Properties

Compound Namecalcium;alumane;carbonic acid;hydride;trihydrate
PubChem CID173174353
Molecular FormulaCH13AlCaO6
Molecular Weight188.17 g/mol
Exact Mass188.02
IUPAC Namecalcium;alumane;carbonic acid;hydride;trihydrate
SMILESO.O.O.O=C(O)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Al.Ca.3H2O.5H/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);;;3*1H2;;;;;/q;;+2;;;;;;;2*-1
InChIKeyOBLBAWIIYXPLMQ-UHFFFAOYSA-N
XLogP-3.59
TPSA152.03 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-3.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

lithium;alumane;carbonic acid;hydride;hydrate
CID 173075627
calcium;magnesium;alumane;carbonic acid;hydride
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tricalcium;carbonic acid;hydride
CID 173419808
magnesium;alumane;carbonic acid;hydride;manganese;trihydrate
CID 173379231
hexamagnesium;alumane;carbonic acid;hydride
CID 173485627
alumane;carbonic acid;iron;dihydrate
CID 173498562
dicalcium;carbonic acid;hydride;methane
CID 173330870
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
calcium;carbonic acid;hydride;dihydrochloride
CID 174815432
magnesium;carbonic acid;hydride;trihydrate
CID 173024872
dimagnesium;alumane;carbonic acid;dihydrate
CID 173025634
calcium;carbonic acid;hydride;phosphane
CID 174337787

Frequently Asked Questions

What is the IUPAC name of calcium;alumane;carbonic acid;hydride;trihydrate?
The IUPAC name of calcium;alumane;carbonic acid;hydride;trihydrate (CID 173174353) is calcium;alumane;carbonic acid;hydride;trihydrate.
What is the SMILES notation for calcium;alumane;carbonic acid;hydride;trihydrate?
The canonical SMILES for calcium;alumane;carbonic acid;hydride;trihydrate is O.O.O.O=C(O)O.[AlH3].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;alumane;carbonic acid;hydride;trihydrate?
The InChIKey is OBLBAWIIYXPLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Al.Ca.3H2O.5H/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);;;3*1H2;;;;;/q;;+2;;;;;;;2*-1.
What are the key properties of calcium;alumane;carbonic acid;hydride;trihydrate?
calcium;alumane;carbonic acid;hydride;trihydrate has a molecular weight of 188.17 g/mol, XLogP of -3.59, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;carbonic acid;hydride;trihydrate is sourced from PubChem (CID 173174353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).