1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one

C20H31NO3Si — CID 134918210

IUPAC1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCN(C(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C20H31NO3Si/c1-20(2,3)25(4,5)24-17-13-9-10-14-21(18(22)15-17)19(23)16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-15H2,1-5H3
InChIKeyVFNVDXVZWKJQEQ-UHFFFAOYSA-N
MW361.56 g/mol
LogP4.62
Rot. Bonds3

About 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one

1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one (PubChem CID 134918210) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one.

Molecular Properties

Compound Name1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one
PubChem CID134918210
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Name1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCCCN(C(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C20H31NO3Si/c1-20(2,3)25(4,5)24-17-13-9-10-14-21(18(22)15-17)19(23)16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-15H2,1-5H3
InChIKeyVFNVDXVZWKJQEQ-UHFFFAOYSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
CID 177439885
methyl (1S,5R,6S)-8-benzoyl-6-[tert-butyl(dimethyl)silyl]oxy-8-azabicyclo[3.2.1]octane-1-carboxylate
CID 10069759
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
CID 22319875
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 10781924
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 160532130
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11036265
3-amino-5-bromo-4-[3-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]benzoic acid
CID 175120310
4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
6-[tert-butyl(dimethyl)silyl]oxycyclodecan-1-ol
CID 11778782
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl] benzoate
CID 100997154
trans-tert-butyl (1R,2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 12068985

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one?
The IUPAC name of 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one (CID 134918210) is 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one.
What is the SMILES notation for 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one?
The canonical SMILES for 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one is CC(C)(C)[Si](C)(C)OC1CCCCN(C(=O)c2ccccc2)C(=O)C1.
What is the InChIKey of 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one?
The InChIKey is VFNVDXVZWKJQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-20(2,3)25(4,5)24-17-13-9-10-14-21(18(22)15-17)19(23)16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-15H2,1-5H3.
What are the key properties of 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one?
1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one has a molecular weight of 361.56 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one is sourced from PubChem (CID 134918210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).