aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate

CH3AlCaMgO11Si2 — CID 174810617

IUPACaluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate
SMILESO=C(O)O.[Al+3].[Ca+2].[Mg+2].[O-][Si]([O-])([O-])O.[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/CH2O3.Al.Ca.Mg.HO4Si.O4Si/c2-1(3)4;;;;2*1-5(2,3)4/h(H2,2,3,4);;;;1H;/q;+3;2*+2;-3;-4
InChIKeyKIQCQNQJTWPYEE-UHFFFAOYSA-N
MW338.56 g/mol
LogP-10.56
Rot. Bonds

About aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate

aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate (PubChem CID 174810617) has the molecular formula CH3AlCaMgO11Si2 and a molecular weight of 338.56 g/mol. Its IUPAC name is aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate.

Molecular Properties

Compound Namealuminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate
PubChem CID174810617
Molecular FormulaCH3AlCaMgO11Si2
Molecular Weight338.56 g/mol
Exact Mass337.85
IUPAC Namealuminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate
SMILESO=C(O)O.[Al+3].[Ca+2].[Mg+2].[O-][Si]([O-])([O-])O.[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/CH2O3.Al.Ca.Mg.HO4Si.O4Si/c2-1(3)4;;;;2*1-5(2,3)4/h(H2,2,3,4);;;;1H;/q;+3;2*+2;-3;-4
InChIKeyKIQCQNQJTWPYEE-UHFFFAOYSA-N
XLogP-10.56
TPSA239.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 5-10.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 175718379
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CID 173036829
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CID 157127640
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
carbonic acid;silicic acid
CID 87379550
calcium;magnesium;iron(2+);manganese(2+);disilicate
CID 173023786
calcium;magnesium;silicate
CID 21388751
dialuminum;magnesium;disilicate
CID 10038374
carbonic acid;molybdenum
CID 87095974
triacontacalcium;carbonic acid;triacontacarbonate
CID 173108074
decacalcium;carbonic acid;decacarbonate
CID 173264131
calcium;magnesium;alumane;carbonic acid;hydride
CID 175056426

Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate?
The IUPAC name of aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate (CID 174810617) is aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate.
What is the SMILES notation for aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate?
The canonical SMILES for aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate is O=C(O)O.[Al+3].[Ca+2].[Mg+2].[O-][Si]([O-])([O-])O.[O-][Si]([O-])([O-])[O-].
What is the InChIKey of aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate?
The InChIKey is KIQCQNQJTWPYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Al.Ca.Mg.HO4Si.O4Si/c2-1(3)4;;;;2*1-5(2,3)4/h(H2,2,3,4);;;;1H;/q;+3;2*+2;-3;-4.
What are the key properties of aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate?
aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate has a molecular weight of 338.56 g/mol, XLogP of -10.56, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;magnesium;carbonic acid;hydroxy(trioxido)silane;silicate is sourced from PubChem (CID 174810617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).