4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one

C31H43NO2Si — CID 134849748

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
SMILESC=CC(C=C)C(CCC(=O)N1[C@@H](C)CC[C@@H]1C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H43NO2Si/c1-8-26(9-2)29(22-23-30(33)32-24(3)20-21-25(32)4)34-35(31(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h8-19,24-26,29H,1-2,20-23H2,3-7H3/t24-,25-,29?/m0/s1
InChIKeyYDDURPJWJWCERD-CXBRBUDWSA-N
MW489.78 g/mol
LogP6.10
Rot. Bonds10

About 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one

4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one (PubChem CID 134849748) has the molecular formula C31H43NO2Si and a molecular weight of 489.78 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
PubChem CID134849748
Molecular FormulaC31H43NO2Si
Molecular Weight489.78 g/mol
Exact Mass489.31
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
SMILESC=CC(C=C)C(CCC(=O)N1[C@@H](C)CC[C@@H]1C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H43NO2Si/c1-8-26(9-2)29(22-23-30(33)32-24(3)20-21-25(32)4)34-35(31(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h8-19,24-26,29H,1-2,20-23H2,3-7H3/t24-,25-,29?/m0/s1
InChIKeyYDDURPJWJWCERD-CXBRBUDWSA-N
XLogP6.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.78
LogP ≤ 56.10
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'}

Analyze 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 10863293
(4S)-2-(2-bromoprop-2-enyl)-4-[tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 11827902
4-[Tert-butyl(diphenyl)silyl]oxy-1-pyrrolidin-1-yloct-7-en-1-one
CID 85293305
(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 101259554
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpyrrolidin-2-one
CID 141489122
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropyl-3-methylpyrrolidin-2-one
CID 154332211
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1-cyclopropylpyrrolidin-2-one
CID 154364964
tert-butyl (2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 162786121
(5S)-1-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
CID 175969201
1-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-methylpyrrolidin-2-one
CID 176343262
5-[Tert-butyl(diphenyl)silyl]oxy-1-propan-2-ylpiperidin-2-one
CID 176393697
4-[diphenyl(trimethylsilyl)silyl]oxy-N,N-diethylpentanamide
CID 10574511

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one (CID 134849748) is 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one is C=CC(C=C)C(CCC(=O)N1[C@@H](C)CC[C@@H]1C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one?
The InChIKey is YDDURPJWJWCERD-CXBRBUDWSA-N. The full InChI is InChI=1S/C31H43NO2Si/c1-8-26(9-2)29(22-23-30(33)32-24(3)20-21-25(32)4)34-35(31(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h8-19,24-26,29H,1-2,20-23H2,3-7H3/t24-,25-,29?/m0/s1.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one?
4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one has a molecular weight of 489.78 g/mol, XLogP of 6.10, 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-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one is sourced from PubChem (CID 134849748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).