trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate

C17H29NO2Si — CID 140790137

IUPACtrimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate
SMILESCCC(C)(CC(C)c1ccccn1)C(=O)OC[Si](C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-7-17(3,16(19)20-13-21(4,5)6)12-14(2)15-10-8-9-11-18-15/h8-11,14H,7,12-13H2,1-6H3
InChIKeyGUBXDSAIDHNKDM-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.41
Rot. Bonds7

About trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate

trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate (PubChem CID 140790137) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate
PubChem CID140790137
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Nametrimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate
SMILESCCC(C)(CC(C)c1ccccn1)C(=O)OC[Si](C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-7-17(3,16(19)20-13-21(4,5)6)12-14(2)15-10-8-9-11-18-15/h8-11,14H,7,12-13H2,1-6H3
InChIKeyGUBXDSAIDHNKDM-UHFFFAOYSA-N
XLogP4.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl-[2-(2,2-dimethyl-4-pyridin-2-ylpentanoyl)oxyethyl]-dimethylazanium
CID 90180331
1-pyridin-2-ylethyl propanoate
CID 141268318
methyl 2,2-dimethyl-4-pyridin-2-ylhexanoate
CID 58862789
2-[(2R)-1-ethoxypropan-2-yl]pyridine
CID 122697916
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
2-pyridin-2-ylpropan-1-amine
CID 21481533
methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate
CID 71662848
ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
CID 122372494
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
methyl 2-methyl-3-pyridin-2-ylbutanoate
CID 102470935
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81406486

Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate?
The IUPAC name of trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate (CID 140790137) is trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate.
What is the SMILES notation for trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate?
The canonical SMILES for trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate is CCC(C)(CC(C)c1ccccn1)C(=O)OC[Si](C)(C)C.
What is the InChIKey of trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate?
The InChIKey is GUBXDSAIDHNKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-7-17(3,16(19)20-13-21(4,5)6)12-14(2)15-10-8-9-11-18-15/h8-11,14H,7,12-13H2,1-6H3.
What are the key properties of trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate?
trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate has a molecular weight of 307.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl 2-ethyl-2-methyl-4-pyridin-2-ylpentanoate is sourced from PubChem (CID 140790137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).