tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate

C11H21NO3Si — CID 11276581

IUPACtert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCC#C[Si](C)(C)C
InChIInChI=1S/C11H21NO3Si/c1-11(2,3)15-10(13)12-14-8-7-9-16(4,5)6/h8H2,1-6H3,(H,12,13)
InChIKeyXQEGKZZUZQESCF-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate

tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate (PubChem CID 11276581) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate
PubChem CID11276581
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Nametert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCC#C[Si](C)(C)C
InChIInChI=1S/C11H21NO3Si/c1-11(2,3)15-10(13)12-14-8-7-9-16(4,5)6/h8H2,1-6H3,(H,12,13)
InChIKeyXQEGKZZUZQESCF-UHFFFAOYSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
tert-butyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpent-4-ynoate
CID 122379651
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
CID 86659550
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
CID 105492435
methyl (2S,5S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-trimethylsilylhept-6-ynoate
CID 86618967
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-(4-aminobut-2-ynyl)carbamate;hydrochloride
CID 178189908
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188
tert-butyl N-(5-aminopent-2-ynyl)carbamate
CID 86698555

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate?
The IUPAC name of tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate (CID 11276581) is tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate.
What is the SMILES notation for tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate?
The canonical SMILES for tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate is CC(C)(C)OC(=O)NOCC#C[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate?
The InChIKey is XQEGKZZUZQESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-11(2,3)15-10(13)12-14-8-7-9-16(4,5)6/h8H2,1-6H3,(H,12,13).
What are the key properties of tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate?
tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate has a molecular weight of 243.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate is sourced from PubChem (CID 11276581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).