dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate

C2H12Ca2O4Si — CID 174280311

IUPACdicalcium;hydride;methylsilyl hydrogen carbonate;hydrate
SMILESC[SiH2]OC(=O)O.O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H6O3Si.2Ca.H2O.4H/c1-6-5-2(3)4;;;;;;;/h6H2,1H3,(H,3,4);;;1H2;;;;/q;2*+2;;4*-1
InChIKeySRNNSNDNTBEWOB-UHFFFAOYSA-N
MW208.36 g/mol
LogP-1.32
Rot. Bonds1

About dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate

dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate (PubChem CID 174280311) has the molecular formula C2H12Ca2O4Si and a molecular weight of 208.36 g/mol. Its IUPAC name is dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate.

Molecular Properties

Compound Namedicalcium;hydride;methylsilyl hydrogen carbonate;hydrate
PubChem CID174280311
Molecular FormulaC2H12Ca2O4Si
Molecular Weight208.36 g/mol
Exact Mass207.98
IUPAC Namedicalcium;hydride;methylsilyl hydrogen carbonate;hydrate
SMILESC[SiH2]OC(=O)O.O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/C2H6O3Si.2Ca.H2O.4H/c1-6-5-2(3)4;;;;;;;/h6H2,1H3,(H,3,4);;;1H2;;;;/q;2*+2;;4*-1
InChIKeySRNNSNDNTBEWOB-UHFFFAOYSA-N
XLogP-1.32
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate?
The IUPAC name of dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate (CID 174280311) is dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate.
What is the SMILES notation for dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate?
The canonical SMILES for dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate is C[SiH2]OC(=O)O.O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate?
The InChIKey is SRNNSNDNTBEWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3Si.2Ca.H2O.4H/c1-6-5-2(3)4;;;;;;;/h6H2,1H3,(H,3,4);;;1H2;;;;/q;2*+2;;4*-1.
What are the key properties of dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate?
dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate has a molecular weight of 208.36 g/mol, XLogP of -1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydride;methylsilyl hydrogen carbonate;hydrate is sourced from PubChem (CID 174280311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).