CID 170847425

H2AlCaO5Si-4 — CID 170847425

IUPAC—
SMILESO.[Al].[Ca].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Al.Ca.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q;;-4;
InChIKeyITYMIPBLGYNWOZ-UHFFFAOYSA-N
MW177.16 g/mol
LogP-6.72
Rot. Bonds

About CID 170847425

CID 170847425 (PubChem CID 170847425) has the molecular formula H2AlCaO5Si-4 and a molecular weight of 177.16 g/mol.

Molecular Properties

Compound NameCID 170847425
PubChem CID170847425
Molecular FormulaH2AlCaO5Si-4
Molecular Weight177.16 g/mol
Exact Mass176.91
IUPAC Name—
SMILESO.[Al].[Ca].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Al.Ca.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q;;-4;
InChIKeyITYMIPBLGYNWOZ-UHFFFAOYSA-N
XLogP-6.72
TPSA123.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-6.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 CID 170847425?
The IUPAC name of CID 170847425 (CID 170847425) is not available.
What is the SMILES notation for CID 170847425?
The canonical SMILES for CID 170847425 is O.[Al].[Ca].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of CID 170847425?
The InChIKey is ITYMIPBLGYNWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.O4Si.H2O/c;;1-5(2,3)4;/h;;;1H2/q;;-4;.
What are the key properties of CID 170847425?
CID 170847425 has a molecular weight of 177.16 g/mol, XLogP of -6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170847425 is sourced from PubChem (CID 170847425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).