tert-butyl(3-trimethoxysilylpropyl)carbamic acid

C11H25NO5Si — CID 23175203

IUPACtert-butyl(3-trimethoxysilylpropyl)carbamic acid
SMILESCO[Si](CCCN(C(=O)O)C(C)(C)C)(OC)OC
InChIInChI=1S/C11H25NO5Si/c1-11(2,3)12(10(13)14)8-7-9-18(15-4,16-5)17-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyZBSSZIANEZSLNC-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.03
Rot. Bonds7

About tert-butyl(3-trimethoxysilylpropyl)carbamic acid

tert-butyl(3-trimethoxysilylpropyl)carbamic acid (PubChem CID 23175203) has the molecular formula C11H25NO5Si and a molecular weight of 279.41 g/mol. Its IUPAC name is tert-butyl(3-trimethoxysilylpropyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(3-trimethoxysilylpropyl)carbamic acid
PubChem CID23175203
Molecular FormulaC11H25NO5Si
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Nametert-butyl(3-trimethoxysilylpropyl)carbamic acid
SMILESCO[Si](CCCN(C(=O)O)C(C)(C)C)(OC)OC
InChIInChI=1S/C11H25NO5Si/c1-11(2,3)12(10(13)14)8-7-9-18(15-4,16-5)17-6/h7-9H2,1-6H3,(H,13,14)
InChIKeyZBSSZIANEZSLNC-UHFFFAOYSA-N
XLogP2.03
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl(3-trimethoxysilylpropyl)carbamic acid?
The IUPAC name of tert-butyl(3-trimethoxysilylpropyl)carbamic acid (CID 23175203) is tert-butyl(3-trimethoxysilylpropyl)carbamic acid.
What is the SMILES notation for tert-butyl(3-trimethoxysilylpropyl)carbamic acid?
The canonical SMILES for tert-butyl(3-trimethoxysilylpropyl)carbamic acid is CO[Si](CCCN(C(=O)O)C(C)(C)C)(OC)OC.
What is the InChIKey of tert-butyl(3-trimethoxysilylpropyl)carbamic acid?
The InChIKey is ZBSSZIANEZSLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO5Si/c1-11(2,3)12(10(13)14)8-7-9-18(15-4,16-5)17-6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl(3-trimethoxysilylpropyl)carbamic acid?
tert-butyl(3-trimethoxysilylpropyl)carbamic acid has a molecular weight of 279.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(3-trimethoxysilylpropyl)carbamic acid is sourced from PubChem (CID 23175203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).