tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate

C23H37NO2Si2 — CID 10645537

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate
SMILESC/C=C(/CN(CC#C[Si](C)(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H37NO2Si2/c1-10-20(28(8,9)21-15-12-11-13-16-21)19-24(17-14-18-27(5,6)7)22(25)26-23(2,3)4/h10-13,15-16H,17,19H2,1-9H3/b20-10-
InChIKeyPAXWRLBACAMQHO-JMIUGGIZSA-N
MW415.73 g/mol
LogP5.21
Rot. Bonds5

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate (PubChem CID 10645537) has the molecular formula C23H37NO2Si2 and a molecular weight of 415.73 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate
PubChem CID10645537
Molecular FormulaC23H37NO2Si2
Molecular Weight415.73 g/mol
Exact Mass415.24
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate
SMILESC/C=C(/CN(CC#C[Si](C)(C)C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H37NO2Si2/c1-10-20(28(8,9)21-15-12-11-13-16-21)19-24(17-14-18-27(5,6)7)22(25)26-23(2,3)4/h10-13,15-16H,17,19H2,1-9H3/b20-10-
InChIKeyPAXWRLBACAMQHO-JMIUGGIZSA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.73
LogP ≤ 55.21
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-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
CID 11381145
Tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
CID 44604030
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332
Tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 101448053
tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
CID 135050531
tert-butyl 3-[(E,1S)-1-[dimethyl(phenyl)silyl]but-2-enyl]pyrrolidine-1-carboxylate
CID 154720231
Tert-butyl 4-[dimethyl(phenyl)silyl]piperidine-1-carboxylate
CID 162401375
tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
CID 162401376
tert-butyl 4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59628496
tert-butyl N-[2-[tert-butyl(phenyl)silyl]oxyethyl]-N-methylcarbamate
CID 123715889
benzene;tert-butyl N-ethyl-N-propylcarbamate;methane
CID 144505935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate (CID 10645537) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate is C/C=C(/CN(CC#C[Si](C)(C)C)C(=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]-N-(3-trimethylsilylprop-2-ynyl)carbamate?
The InChIKey is PAXWRLBACAMQHO-JMIUGGIZSA-N. The full InChI is InChI=1S/C23H37NO2Si2/c1-10-20(28(8,9)21-15-12-11-13-16-21)19-24(17-14-18-27(5,6)7)22(25)26-23(2,3)4/h10-13,15-16H,17,19H2,1-9H3/b20-10-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(3-trimethylsilylprop-2-ynyl)carbamate has a molecular weight of 415.73 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 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]-N-(3-trimethylsilylprop-2-ynyl)carbamate is sourced from PubChem (CID 10645537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).