tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane

C14H35NO5Si2 — CID 174147309

IUPACtert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
SMILESCCO[Si](CCCN(C(=O)O)C(C)(C)C)(OCC)OCC.[SiH4]
InChIInChI=1S/C14H31NO5Si.H4Si/c1-7-18-21(19-8-2,20-9-3)12-10-11-15(13(16)17)14(4,5)6;/h7-12H2,1-6H3,(H,16,17);1H4
InChIKeyAZQRBCRVBGMLDV-UHFFFAOYSA-N
MW353.61 g/mol
LogP1.75
Rot. Bonds10

About tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane

tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane (PubChem CID 174147309) has the molecular formula C14H35NO5Si2 and a molecular weight of 353.61 g/mol. Its IUPAC name is tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane.

Molecular Properties

Compound Nametert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
PubChem CID174147309
Molecular FormulaC14H35NO5Si2
Molecular Weight353.61 g/mol
Exact Mass353.21
IUPAC Nametert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
SMILESCCO[Si](CCCN(C(=O)O)C(C)(C)C)(OCC)OCC.[SiH4]
InChIInChI=1S/C14H31NO5Si.H4Si/c1-7-18-21(19-8-2,20-9-3)12-10-11-15(13(16)17)14(4,5)6;/h7-12H2,1-6H3,(H,16,17);1H4
InChIKeyAZQRBCRVBGMLDV-UHFFFAOYSA-N
XLogP1.75
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.61
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl(3-trimethoxysilylpropyl)carbamic acid
CID 23175203
ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
tert-butyl-[3-(methylamino)propyl]carbamic acid
CID 118379406
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
2-aminooxyethyl(tert-butyl)carbamic acid
CID 86619024

Frequently Asked Questions

What is the IUPAC name of tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane?
The IUPAC name of tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane (CID 174147309) is tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane.
What is the SMILES notation for tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane?
The canonical SMILES for tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane is CCO[Si](CCCN(C(=O)O)C(C)(C)C)(OCC)OCC.[SiH4].
What is the InChIKey of tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane?
The InChIKey is AZQRBCRVBGMLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5Si.H4Si/c1-7-18-21(19-8-2,20-9-3)12-10-11-15(13(16)17)14(4,5)6;/h7-12H2,1-6H3,(H,16,17);1H4.
What are the key properties of tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane?
tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane has a molecular weight of 353.61 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane is sourced from PubChem (CID 174147309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).