4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate

C14H19NO2Si — CID 10061224

IUPAC4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
SMILESCC(C#C[Si](C)(C)C)OC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO2Si/c1-12(10-11-18(2,3)4)17-14(16)15-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,15,16)
InChIKeyRQDXUQPTQSPWJQ-UHFFFAOYSA-N
MW261.40 g/mol
LogP3.50
Rot. Bonds2

About 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate

4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate (PubChem CID 10061224) has the molecular formula C14H19NO2Si and a molecular weight of 261.40 g/mol. Its IUPAC name is 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate.

Molecular Properties

Compound Name4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
PubChem CID10061224
Molecular FormulaC14H19NO2Si
Molecular Weight261.40 g/mol
Exact Mass261.12
IUPAC Name4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
SMILESCC(C#C[Si](C)(C)C)OC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO2Si/c1-12(10-11-18(2,3)4)17-14(16)15-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,15,16)
InChIKeyRQDXUQPTQSPWJQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
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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Related Compounds

1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
methyl 3-methyl-2-(phenylcarbamoyloxy)but-3-enoate
CID 22150990
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
[(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-yl] N-phenylcarbamate
CID 10616670
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
CID 21455185
CID 68594224
CID 68594224
[1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl] N-phenylcarbamate
CID 166386432
[(2R)-5-(dimethylamino)pent-3-yn-2-yl] N-(3-chlorophenyl)carbamate
CID 15025145
3-methylbutyl N-phenylcarbamate
CID 69480810
(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
CID 160928096

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate?
The IUPAC name of 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate (CID 10061224) is 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate.
What is the SMILES notation for 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate?
The canonical SMILES for 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate is CC(C#C[Si](C)(C)C)OC(=O)Nc1ccccc1.
What is the InChIKey of 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate?
The InChIKey is RQDXUQPTQSPWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2Si/c1-12(10-11-18(2,3)4)17-14(16)15-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,15,16).
What are the key properties of 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate?
4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate has a molecular weight of 261.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate is sourced from PubChem (CID 10061224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).