tert-butyl N-(3-triethoxysilylpropyl)carbamate

C14H31NO5Si — CID 10125729

IUPACtert-butyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(C)(C)C)(OCC)OCC
InChIInChI=1S/C14H31NO5Si/c1-7-17-21(18-8-2,19-9-3)12-10-11-15-13(16)20-14(4,5)6/h7-12H2,1-6H3,(H,15,16)
InChIKeySGGGQXKYTPWHOA-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.95
Rot. Bonds10

About tert-butyl N-(3-triethoxysilylpropyl)carbamate

tert-butyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 10125729) has the molecular formula C14H31NO5Si and a molecular weight of 321.49 g/mol. Its IUPAC name is tert-butyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID10125729
Molecular FormulaC14H31NO5Si
Molecular Weight321.49 g/mol
Exact Mass321.20
IUPAC Nametert-butyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(C)(C)C)(OCC)OCC
InChIInChI=1S/C14H31NO5Si/c1-7-17-21(18-8-2,19-9-3)12-10-11-15-13(16)20-14(4,5)6/h7-12H2,1-6H3,(H,15,16)
InChIKeySGGGQXKYTPWHOA-UHFFFAOYSA-N
XLogP2.95
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-triethoxysilylpropyl)carbamate (CID 10125729) is tert-butyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OC(C)(C)C)(OCC)OCC.
What is the InChIKey of tert-butyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is SGGGQXKYTPWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5Si/c1-7-17-21(18-8-2,19-9-3)12-10-11-15-13(16)20-14(4,5)6/h7-12H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-(3-triethoxysilylpropyl)carbamate?
tert-butyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 321.49 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 10125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).