calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium

C9H14CaCeLaO2SrZr — CID 175276244

IUPACcalcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium
SMILESO=[Zr].[Ca+2].[Ce].[H-].[H-].[H-].[H-].[La].[Sr+2].c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.Ca.Ce.La.O.Sr.Zr.4H/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;;;;;;/h1-2,4,6H,3,5,7H2;;;;;;;;;;/q;+2;;;;+2;;4*-1
InChIKeyNMTGLXLKXHUAQM-UHFFFAOYSA-N
MW652.15 g/mol
LogP1.58
Rot. Bonds

About calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium

calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium (PubChem CID 175276244) has the molecular formula C9H14CaCeLaO2SrZr and a molecular weight of 652.15 g/mol. Its IUPAC name is calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium.

Molecular Properties

Compound Namecalcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium
PubChem CID175276244
Molecular FormulaC9H14CaCeLaO2SrZr
Molecular Weight652.15 g/mol
Exact Mass650.68
IUPAC Namecalcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium
SMILESO=[Zr].[Ca+2].[Ce].[H-].[H-].[H-].[H-].[La].[Sr+2].c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O.Ca.Ce.La.O.Sr.Zr.4H/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;;;;;;/h1-2,4,6H,3,5,7H2;;;;;;;;;;/q;+2;;;;+2;;4*-1
InChIKeyNMTGLXLKXHUAQM-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium?
The IUPAC name of calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium (CID 175276244) is calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium.
What is the SMILES notation for calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium?
The canonical SMILES for calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium is O=[Zr].[Ca+2].[Ce].[H-].[H-].[H-].[H-].[La].[Sr+2].c1ccc2c(c1)CCCO2.
What is the InChIKey of calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium?
The InChIKey is NMTGLXLKXHUAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.Ca.Ce.La.O.Sr.Zr.4H/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;;;;;;/h1-2,4,6H,3,5,7H2;;;;;;;;;;/q;+2;;;;+2;;4*-1.
What are the key properties of calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium?
calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium has a molecular weight of 652.15 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium is sourced from PubChem (CID 175276244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).