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'}

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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).