[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate

C9H17NO2Si — CID 175398792

IUPAC[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate
SMILESC[C@H](CC#C[Si](C)(C)C)OC(N)=O
InChIInChI=1S/C9H17NO2Si/c1-8(12-9(10)11)6-5-7-13(2,3)4/h8H,6H2,1-4H3,(H2,10,11)/t8-/m1/s1
InChIKeyDQKUHIAIDBMZFQ-MRVPVSSYSA-N
MW199.33 g/mol
LogP1.74
Rot. Bonds2

About [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate

[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate (PubChem CID 175398792) has the molecular formula C9H17NO2Si and a molecular weight of 199.33 g/mol. Its IUPAC name is [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate
PubChem CID175398792
Molecular FormulaC9H17NO2Si
Molecular Weight199.33 g/mol
Exact Mass199.10
IUPAC Name[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate
SMILESC[C@H](CC#C[Si](C)(C)C)OC(N)=O
InChIInChI=1S/C9H17NO2Si/c1-8(12-9(10)11)6-5-7-13(2,3)4/h8H,6H2,1-4H3,(H2,10,11)/t8-/m1/s1
InChIKeyDQKUHIAIDBMZFQ-MRVPVSSYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 51.74
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

2-methyl-5-trimethylsilylpent-4-ynoic acid
CID 102228777
5-trimethylsilylpent-4-yn-2-ol
CID 11073669
diethyl 2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 11460565
methyl N-[(2R)-5-trimethylsilylpent-4-yn-2-yl]carbamate
CID 11063776
1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
4-oxobutan-2-yl carbamate
CID 87311597
4,4-dichlorobutan-2-yl carbamate
CID 88641274
(4S)-1-dimethoxyphosphoryl-4-methyl-7-trimethylsilylhept-6-yn-2-one
CID 23636318
(2R)-2-hydroxy-5-trimethylsilylpent-4-ynal
CID 89079207
[(2S)-2-carbamoyloxypropyl]-trimethylazanium chloride
CID 45266828
ethyl 3-carbamoyloxybutanoate
CID 88785770
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate?
The IUPAC name of [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate (CID 175398792) is [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate.
What is the SMILES notation for [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate?
The canonical SMILES for [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate is C[C@H](CC#C[Si](C)(C)C)OC(N)=O.
What is the InChIKey of [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate?
The InChIKey is DQKUHIAIDBMZFQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2Si/c1-8(12-9(10)11)6-5-7-13(2,3)4/h8H,6H2,1-4H3,(H2,10,11)/t8-/m1/s1.
What are the key properties of [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate?
[(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate has a molecular weight of 199.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-trimethylsilylpent-4-yn-2-yl] carbamate is sourced from PubChem (CID 175398792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).