hydroxymethyl trimethoxy silicate

C4H12O8Si — CID 175346530

IUPAChydroxymethyl trimethoxy silicate
SMILESCOO[Si](OCO)(OOC)OOC
InChIInChI=1S/C4H12O8Si/c1-6-10-13(9-4-5,11-7-2)12-8-3/h5H,4H2,1-3H3
InChIKeyURRSDOQQPYAEPK-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.88
Rot. Bonds8

About hydroxymethyl trimethoxy silicate

hydroxymethyl trimethoxy silicate (PubChem CID 175346530) has the molecular formula C4H12O8Si and a molecular weight of 216.22 g/mol. Its IUPAC name is hydroxymethyl trimethoxy silicate.

Molecular Properties

Compound Namehydroxymethyl trimethoxy silicate
PubChem CID175346530
Molecular FormulaC4H12O8Si
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Namehydroxymethyl trimethoxy silicate
SMILESCOO[Si](OCO)(OOC)OOC
InChIInChI=1S/C4H12O8Si/c1-6-10-13(9-4-5,11-7-2)12-8-3/h5H,4H2,1-3H3
InChIKeyURRSDOQQPYAEPK-UHFFFAOYSA-N
XLogP-0.88
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethyl trimethoxy silicate?
The IUPAC name of hydroxymethyl trimethoxy silicate (CID 175346530) is hydroxymethyl trimethoxy silicate.
What is the SMILES notation for hydroxymethyl trimethoxy silicate?
The canonical SMILES for hydroxymethyl trimethoxy silicate is COO[Si](OCO)(OOC)OOC.
What is the InChIKey of hydroxymethyl trimethoxy silicate?
The InChIKey is URRSDOQQPYAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O8Si/c1-6-10-13(9-4-5,11-7-2)12-8-3/h5H,4H2,1-3H3.
What are the key properties of hydroxymethyl trimethoxy silicate?
hydroxymethyl trimethoxy silicate has a molecular weight of 216.22 g/mol, XLogP of -0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl trimethoxy silicate is sourced from PubChem (CID 175346530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).