CID 170839427

H2Ca3O5Si — CID 170839427

IUPAC—
SMILESO.[Ca+2].[Ca+2].[Ca].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/3Ca.O4Si.H2O/c;;;1-5(2,3)4;/h;;;;1H2/q;2*+2;-4;
InChIKeyWTZIWCAPBDINJW-UHFFFAOYSA-N
MW230.33 g/mol
LogP-7.10
Rot. Bonds

About CID 170839427

CID 170839427 (PubChem CID 170839427) has the molecular formula H2Ca3O5Si and a molecular weight of 230.33 g/mol.

Molecular Properties

Compound NameCID 170839427
PubChem CID170839427
Molecular FormulaH2Ca3O5Si
Molecular Weight230.33 g/mol
Exact Mass229.85
IUPAC Name—
SMILESO.[Ca+2].[Ca+2].[Ca].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/3Ca.O4Si.H2O/c;;;1-5(2,3)4;/h;;;;1H2/q;2*+2;-4;
InChIKeyWTZIWCAPBDINJW-UHFFFAOYSA-N
XLogP-7.10
TPSA123.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-7.10
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 170839427?
The IUPAC name of CID 170839427 (CID 170839427) is not available.
What is the SMILES notation for CID 170839427?
The canonical SMILES for CID 170839427 is O.[Ca+2].[Ca+2].[Ca].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of CID 170839427?
The InChIKey is WTZIWCAPBDINJW-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ca.O4Si.H2O/c;;;1-5(2,3)4;/h;;;;1H2/q;2*+2;-4;.
What are the key properties of CID 170839427?
CID 170839427 has a molecular weight of 230.33 g/mol, XLogP of -7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170839427 is sourced from PubChem (CID 170839427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).