4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one

C28H39NO2Si — CID 85293305

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
SMILESC=CCCC(CCC(=O)N1CCCC1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO2Si/c1-5-6-15-24(20-21-27(30)29-22-13-14-23-29)31-32(28(2,3)4,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h5,7-12,16-19,24H,1,6,13-15,20-23H2,2-4H3
InChIKeyWBUJKUZYPJKAOC-UHFFFAOYSA-N
MW449.71 g/mol
LogP5.30
Rot. Bonds10

About 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one

4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one (PubChem CID 85293305) has the molecular formula C28H39NO2Si and a molecular weight of 449.71 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
PubChem CID85293305
Molecular FormulaC28H39NO2Si
Molecular Weight449.71 g/mol
Exact Mass449.28
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
SMILESC=CCCC(CCC(=O)N1CCCC1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO2Si/c1-5-6-15-24(20-21-27(30)29-22-13-14-23-29)31-32(28(2,3)4,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h5,7-12,16-19,24H,1,6,13-15,20-23H2,2-4H3
InChIKeyWBUJKUZYPJKAOC-UHFFFAOYSA-N
XLogP5.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.71
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 10863293
[(3S,4R)-3-[dimethyl(phenyl)silyl]-7-oxo-7-pyrrolidin-1-ylhept-1-en-4-yl] acetate
CID 10992363
(4S)-2-(2-bromoprop-2-enyl)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 11827902
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 101259554
4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 134849748
N-(5-(tert-Butyldiphenylsilyloxy)pentyl)-N-isopropylheptanamide
CID 70819093
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 90098397
N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 123488240
5-[Tert-butyl(diphenyl)silyl]oxy-1-methylpiperidin-2-one
CID 140943531
5-[Tert-butyl(diphenyl)silyl]oxy-1-ethylpiperidin-2-one
CID 140943548
N-[2-[tert-butyl(diphenyl)silyl]oxy-3-[hexadecanoyl(2-trimethylsilyloxyethyl)amino]propyl]-N-(2-trimethylsilyloxyethyl)hexadecanamide
CID 156755674
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 171692281

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one (CID 85293305) is 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one is C=CCCC(CCC(=O)N1CCCC1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one?
The InChIKey is WBUJKUZYPJKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO2Si/c1-5-6-15-24(20-21-27(30)29-22-13-14-23-29)31-32(28(2,3)4,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h5,7-12,16-19,24H,1,6,13-15,20-23H2,2-4H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one?
4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one has a molecular weight of 449.71 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one is sourced from PubChem (CID 85293305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).