tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

C17H27NO2Si — CID 10614553

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CNC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-7-14(13-18-16(19)20-17(2,3)4)21(5,6)15-11-9-8-10-12-15/h7-12H,13H2,1-6H3,(H,18,19)/b14-7-
InChIKeyKMHWJYRJDOLCRK-AUWJEWJLSA-N
MW305.49 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 10614553) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID10614553
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CNC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H27NO2Si/c1-7-14(13-18-16(19)20-17(2,3)4)21(5,6)15-11-9-8-10-12-15/h7-12H,13H2,1-6H3,(H,18,19)/b14-7-
InChIKeyKMHWJYRJDOLCRK-AUWJEWJLSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 10614553) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CNC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is KMHWJYRJDOLCRK-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-7-14(13-18-16(19)20-17(2,3)4)21(5,6)15-11-9-8-10-12-15/h7-12H,13H2,1-6H3,(H,18,19)/b14-7-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 305.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 10614553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).