trimethoxysilyl carbamate

C4H11NO5Si — CID 87912999

IUPACtrimethoxysilyl carbamate
SMILESCO[Si](OC)(OC)OC(N)=O
InChIInChI=1S/C4H11NO5Si/c1-7-11(8-2,9-3)10-4(5)6/h1-3H3,(H2,5,6)
InChIKeyHXWHEQCFMAWDJO-UHFFFAOYSA-N
MW181.22 g/mol
LogP-0.54
Rot. Bonds4

About trimethoxysilyl carbamate

trimethoxysilyl carbamate (PubChem CID 87912999) has the molecular formula C4H11NO5Si and a molecular weight of 181.22 g/mol. Its IUPAC name is trimethoxysilyl carbamate.

Molecular Properties

Compound Nametrimethoxysilyl carbamate
PubChem CID87912999
Molecular FormulaC4H11NO5Si
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Nametrimethoxysilyl carbamate
SMILESCO[Si](OC)(OC)OC(N)=O
InChIInChI=1S/C4H11NO5Si/c1-7-11(8-2,9-3)10-4(5)6/h1-3H3,(H2,5,6)
InChIKeyHXWHEQCFMAWDJO-UHFFFAOYSA-N
XLogP-0.54
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 trimethoxysilyl carbamate?
The IUPAC name of trimethoxysilyl carbamate (CID 87912999) is trimethoxysilyl carbamate.
What is the SMILES notation for trimethoxysilyl carbamate?
The canonical SMILES for trimethoxysilyl carbamate is CO[Si](OC)(OC)OC(N)=O.
What is the InChIKey of trimethoxysilyl carbamate?
The InChIKey is HXWHEQCFMAWDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5Si/c1-7-11(8-2,9-3)10-4(5)6/h1-3H3,(H2,5,6).
What are the key properties of trimethoxysilyl carbamate?
trimethoxysilyl carbamate has a molecular weight of 181.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilyl carbamate is sourced from PubChem (CID 87912999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).