CID 170851095

H2CaO5Si-4 — CID 170851095

IUPAC—
SMILESO.[Ca].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;
InChIKeyUKKLCRSGBHZAPN-UHFFFAOYSA-N
MW150.17 g/mol
LogP-6.34
Rot. Bonds

About CID 170851095

CID 170851095 (PubChem CID 170851095) has the molecular formula H2CaO5Si-4 and a molecular weight of 150.17 g/mol.

Molecular Properties

Compound NameCID 170851095
PubChem CID170851095
Molecular FormulaH2CaO5Si-4
Molecular Weight150.17 g/mol
Exact Mass149.93
IUPAC Name—
SMILESO.[Ca].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;
InChIKeyUKKLCRSGBHZAPN-UHFFFAOYSA-N
XLogP-6.34
TPSA123.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-6.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tricalcium silicate
CID 25523
Dicalcium silicate
CID 14941
Calcium silicate hydrate
CID 21910000
Xonotlite (Ca(SiO3).xH2O)
CID 6335841
Hillebrandite
CID 129628152
CID 56973721
CID 56973721
Hydratecalcium silicate hydrate
CID 22597165
Dicalcium silicate hydrate
CID 129652581
Na Ca (Si O3 (O H))
CID 139046834
Unii-9W3UX8K5UQ
CID 6335617
Trihydrogensilicate(1-)
CID 19799683
Dihydrogensilicate(2-)
CID 23657875

Frequently Asked Questions

What is the IUPAC name of CID 170851095?
The IUPAC name of CID 170851095 (CID 170851095) is not available.
What is the SMILES notation for CID 170851095?
The canonical SMILES for CID 170851095 is O.[Ca].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of CID 170851095?
The InChIKey is UKKLCRSGBHZAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;.
What are the key properties of CID 170851095?
CID 170851095 has a molecular weight of 150.17 g/mol, XLogP of -6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170851095 is sourced from PubChem (CID 170851095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).