tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate

C22H29NO2Si — CID 134905367

IUPACtert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-6-13-20(23-21(24)25-22(2,3)4)26(5,18-14-9-7-10-15-18)19-16-11-8-12-17-19/h6-12,14-17,20H,1,13H2,2-5H3,(H,23,24)
InChIKeyIAYKRCIIPIWHJJ-UHFFFAOYSA-N
MW367.57 g/mol
LogP3.89
Rot. Bonds6

About tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate

tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate (PubChem CID 134905367) has the molecular formula C22H29NO2Si and a molecular weight of 367.57 g/mol. Its IUPAC name is tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate
PubChem CID134905367
Molecular FormulaC22H29NO2Si
Molecular Weight367.57 g/mol
Exact Mass367.20
IUPAC Nametert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-6-13-20(23-21(24)25-22(2,3)4)26(5,18-14-9-7-10-15-18)19-16-11-8-12-17-19/h6-12,14-17,20H,1,13H2,2-5H3,(H,23,24)
InChIKeyIAYKRCIIPIWHJJ-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-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

Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
CID 102314408
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(E)-N-t-Butoxycarbonyl-4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenylamine
CID 59029502
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982747
Tert-butyl 3-(tert-butyldiphenylsilyloxy)-1,1,1-trifluoropropan-2-ylcarbamate
CID 68294202
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 140870521
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)butyl]carbamate
CID 153556066
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate (CID 134905367) is tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate is C=CCC(NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate?
The InChIKey is IAYKRCIIPIWHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-6-13-20(23-21(24)25-22(2,3)4)26(5,18-14-9-7-10-15-18)19-16-11-8-12-17-19/h6-12,14-17,20H,1,13H2,2-5H3,(H,23,24).
What are the key properties of tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate?
tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate has a molecular weight of 367.57 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methyl(diphenyl)silyl]but-3-enyl]carbamate is sourced from PubChem (CID 134905367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).