dicalcium;oxygen(2-);hydrate

H2Ca2O2+2 — CID 175811534

IUPACdicalcium;oxygen(2-);hydrate
SMILESO.[Ca+2].[Ca+2].[O-2]
InChIInChI=1S/2Ca.H2O.O/h;;1H2;/q2*+2;;-2
InChIKeyUGBBRUKZERSSLK-UHFFFAOYSA-N
MW114.17 g/mol
LogP-1.71
Rot. Bonds

About dicalcium;oxygen(2-);hydrate

dicalcium;oxygen(2-);hydrate (PubChem CID 175811534) has the molecular formula H2Ca2O2+2 and a molecular weight of 114.17 g/mol. Its IUPAC name is dicalcium;oxygen(2-);hydrate.

Molecular Properties

Compound Namedicalcium;oxygen(2-);hydrate
PubChem CID175811534
Molecular FormulaH2Ca2O2+2
Molecular Weight114.17 g/mol
Exact Mass113.93
IUPAC Namedicalcium;oxygen(2-);hydrate
SMILESO.[Ca+2].[Ca+2].[O-2]
InChIInChI=1S/2Ca.H2O.O/h;;1H2;/q2*+2;;-2
InChIKeyUGBBRUKZERSSLK-UHFFFAOYSA-N
XLogP-1.71
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dicalcium;oxygen(2-);hydrate?
The IUPAC name of dicalcium;oxygen(2-);hydrate (CID 175811534) is dicalcium;oxygen(2-);hydrate.
What is the SMILES notation for dicalcium;oxygen(2-);hydrate?
The canonical SMILES for dicalcium;oxygen(2-);hydrate is O.[Ca+2].[Ca+2].[O-2].
What is the InChIKey of dicalcium;oxygen(2-);hydrate?
The InChIKey is UGBBRUKZERSSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.H2O.O/h;;1H2;/q2*+2;;-2.
What are the key properties of dicalcium;oxygen(2-);hydrate?
dicalcium;oxygen(2-);hydrate has a molecular weight of 114.17 g/mol, XLogP of -1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;oxygen(2-);hydrate is sourced from PubChem (CID 175811534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).