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

C21H31NO2Si — CID 10689707

IUPACtert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESCC#CCN(C/C(=C/C)[Si](C)(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H31NO2Si/c1-8-10-16-22(20(23)24-21(3,4)5)17-18(9-2)25(6,7)19-14-12-11-13-15-19/h9,11-15H,16-17H2,1-7H3/b18-9-
InChIKeyYHYUKRPOFGIDRO-NVMNQCDNSA-N
MW357.57 g/mol
LogP4.35
Rot. Bonds5

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

tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 10689707) has the molecular formula C21H31NO2Si and a molecular weight of 357.57 g/mol. Its IUPAC name is tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID10689707
Molecular FormulaC21H31NO2Si
Molecular Weight357.57 g/mol
Exact Mass357.21
IUPAC Nametert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESCC#CCN(C/C(=C/C)[Si](C)(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C21H31NO2Si/c1-8-10-16-22(20(23)24-21(3,4)5)17-18(9-2)25(6,7)19-14-12-11-13-15-19/h9,11-15H,16-17H2,1-7H3/b18-9-
InChIKeyYHYUKRPOFGIDRO-NVMNQCDNSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-but-2-ynyl-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-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 10689707) is tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is CC#CCN(C/C(=C/C)[Si](C)(C)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is YHYUKRPOFGIDRO-NVMNQCDNSA-N. The full InChI is InChI=1S/C21H31NO2Si/c1-8-10-16-22(20(23)24-21(3,4)5)17-18(9-2)25(6,7)19-14-12-11-13-15-19/h9,11-15H,16-17H2,1-7H3/b18-9-.
What are the key properties of tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 357.57 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-2-ynyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 10689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).