2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate

C14H23NO3SSi — CID 171559060

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate
SMILESCC(C)(C)[Si](C)(C)OCCOC(=O)Sc1ccccn1
InChIInChI=1S/C14H23NO3SSi/c1-14(2,3)20(4,5)18-11-10-17-13(16)19-12-8-6-7-9-15-12/h6-9H,10-11H2,1-5H3
InChIKeyWWTOQWSZQQDHRU-UHFFFAOYSA-N
MW313.50 g/mol
LogP4.33
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate

2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate (PubChem CID 171559060) has the molecular formula C14H23NO3SSi and a molecular weight of 313.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate
PubChem CID171559060
Molecular FormulaC14H23NO3SSi
Molecular Weight313.50 g/mol
Exact Mass313.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate
SMILESCC(C)(C)[Si](C)(C)OCCOC(=O)Sc1ccccn1
InChIInChI=1S/C14H23NO3SSi/c1-14(2,3)20(4,5)18-11-10-17-13(16)19-12-8-6-7-9-15-12/h6-9H,10-11H2,1-5H3
InChIKeyWWTOQWSZQQDHRU-UHFFFAOYSA-N
XLogP4.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
CID 101434122
S-pyridin-2-yl 4-tert-butylbenzenecarbothioate
CID 901065
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
S-pyridin-2-yl 3-(2-methoxyethoxy)propanethioate
CID 59992616
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
CID 155933037
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate (CID 171559060) is 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate is CC(C)(C)[Si](C)(C)OCCOC(=O)Sc1ccccn1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate?
The InChIKey is WWTOQWSZQQDHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3SSi/c1-14(2,3)20(4,5)18-11-10-17-13(16)19-12-8-6-7-9-15-12/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate?
2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate has a molecular weight of 313.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate is sourced from PubChem (CID 171559060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).