tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate

C18H27NO2Si — CID 160683240

IUPACtert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c(C)c1C#C[Si](C)(C)C
InChIInChI=1S/C18H27NO2Si/c1-13-9-10-16(19-17(20)21-18(3,4)5)14(2)15(13)11-12-22(6,7)8/h9-10H,1-8H3,(H,19,20)
InChIKeySBRQUXKPRHGIRP-UHFFFAOYSA-N
MW317.51 g/mol
LogP4.88
Rot. Bonds1

About tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate

tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate (PubChem CID 160683240) has the molecular formula C18H27NO2Si and a molecular weight of 317.51 g/mol. Its IUPAC name is tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate
PubChem CID160683240
Molecular FormulaC18H27NO2Si
Molecular Weight317.51 g/mol
Exact Mass317.18
IUPAC Nametert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c(C)c1C#C[Si](C)(C)C
InChIInChI=1S/C18H27NO2Si/c1-13-9-10-16(19-17(20)21-18(3,4)5)14(2)15(13)11-12-22(6,7)8/h9-10H,1-8H3,(H,19,20)
InChIKeySBRQUXKPRHGIRP-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 54.88
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

tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethynyl]-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 135012268
methyl N-[3,4-difluoro-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 131872723
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(6-chloro-2-iodo-3-pyridinyl)carbamate
CID 90341107
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl N-[4-iodo-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamate
CID 134814577
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate (CID 160683240) is tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate is Cc1ccc(NC(=O)OC(C)(C)C)c(C)c1C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate?
The InChIKey is SBRQUXKPRHGIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2Si/c1-13-9-10-16(19-17(20)21-18(3,4)5)14(2)15(13)11-12-22(6,7)8/h9-10H,1-8H3,(H,19,20).
What are the key properties of tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate?
tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate has a molecular weight of 317.51 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,4-dimethyl-3-(2-trimethylsilylethynyl)phenyl]carbamate is sourced from PubChem (CID 160683240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).