CID 170853466

H3CaO7Si2-3 — CID 170853466

IUPAC—
SMILESO.O=[Si]([O-])O[Si](=O)[O-].[Ca].[OH-]
InChIInChI=1S/Ca.O5Si2.2H2O/c;1-6(2)5-7(3)4;;/h;;2*1H2/q;-2;;/p-1
InChIKeyHLXMGFBOIIVFCZ-UHFFFAOYSA-M
MW211.27 g/mol
LogP-4.83
Rot. Bonds2

About CID 170853466

CID 170853466 (PubChem CID 170853466) has the molecular formula H3CaO7Si2-3 and a molecular weight of 211.27 g/mol.

Molecular Properties

Compound NameCID 170853466
PubChem CID170853466
Molecular FormulaH3CaO7Si2-3
Molecular Weight211.27 g/mol
Exact Mass210.91
IUPAC Name—
SMILESO.O=[Si]([O-])O[Si](=O)[O-].[Ca].[OH-]
InChIInChI=1S/Ca.O5Si2.2H2O/c;1-6(2)5-7(3)4;;/h;;2*1H2/q;-2;;/p-1
InChIKeyHLXMGFBOIIVFCZ-UHFFFAOYSA-M
XLogP-4.83
TPSA150.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-4.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Calcium silicate hydrate
CID 21910000
Dicalcium bis(dioxido(oxo)silane)
CID 21862910
Hillebrandite
CID 129628152
Dicalcium silicate hydrate
CID 129652581
Tricalcium silicate hydrate
CID 129653374
Calcium orthosilicate hydrate (2:1:1)
CID 44154858
Trisiloxanediol
CID 20307861
1,9-Pentasiloxanediol
CID 21546573
Tetracalciumsilicate hydrate
CID 129694494
CID 139211875
CID 139211875
CID 139213387
CID 139213387
CID 170839427
CID 170839427

Frequently Asked Questions

What is the IUPAC name of CID 170853466?
The IUPAC name of CID 170853466 (CID 170853466) is not available.
What is the SMILES notation for CID 170853466?
The canonical SMILES for CID 170853466 is O.O=[Si]([O-])O[Si](=O)[O-].[Ca].[OH-].
What is the InChIKey of CID 170853466?
The InChIKey is HLXMGFBOIIVFCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.O5Si2.2H2O/c;1-6(2)5-7(3)4;;/h;;2*1H2/q;-2;;/p-1.
What are the key properties of CID 170853466?
CID 170853466 has a molecular weight of 211.27 g/mol, XLogP of -4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170853466 is sourced from PubChem (CID 170853466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).