(4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C44H53NO4Si — CID 134852815

IUPAC(4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC[C@@H](C/C=C/C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C44H53NO4Si/c1-7-8-13-27-37(49-50(43(4,5)6,38-29-18-11-19-30-38)39-31-20-12-21-32-39)28-22-33-40(46)45-41(34(2)3)44(48-42(45)47,35-23-14-9-15-24-35)36-25-16-10-17-26-36/h9-12,14-26,29-34,37,41H,7-8,13,27-28H2,1-6H3/b33-22+/t37-,41-/m0/s1
InChIKeyHQOVHTAQHPCLLC-LVZOBRCSSA-N
MW688.00 g/mol
LogP9.41
Rot. Bonds14

About (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134852815) has the molecular formula C44H53NO4Si and a molecular weight of 688.00 g/mol. Its IUPAC name is (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134852815
Molecular FormulaC44H53NO4Si
Molecular Weight688.00 g/mol
Exact Mass687.37
IUPAC Name(4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC[C@@H](C/C=C/C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C44H53NO4Si/c1-7-8-13-27-37(49-50(43(4,5)6,38-29-18-11-19-30-38)39-31-20-12-21-32-39)28-22-33-40(46)45-41(34(2)3)44(48-42(45)47,35-23-14-9-15-24-35)36-25-16-10-17-26-36/h9-12,14-26,29-34,37,41H,7-8,13,27-28H2,1-6H3/b33-22+/t37-,41-/m0/s1
InChIKeyHQOVHTAQHPCLLC-LVZOBRCSSA-N
XLogP9.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.00
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992
(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174118
(S)-4-Isopropyl-5,5-diphenyl-3-[(E)-3-(2-trifluoromethylphenyl)-acryloyl]-oxazolidin-2-one
CID 24936994
5,5-Diphenyl-4-propan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68536132
(4S)-5,5-diphenyl-4-propan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68536138
(4R,5S)-4-methyl-5-phenyl-3-[(Z)-5-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11079051
tert-butyl (2R,5S)-2-[(4S)-1-[tert-butyl(diphenyl)silyl]oxyoct-7-en-4-yl]-2-ethenyl-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 11578412
(4S,5R)-4-methyl-5-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 14979201
(4S)-4-benzyl-3-[(1R,2S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-2-(3-phenylmethoxypropyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 53391476
tert-butyl N-[(E)-but-2-enoyl]-N-[(2R)-1-trityloxybut-3-en-2-yl]carbamate
CID 71817041
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2-(trityloxymethyl)-2,3-dihydropyridine-1-carboxylate
CID 71817266
tert-butyl (2S,5S,6S)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(phenylmethoxymethyl)-1-azaspiro[4.5]dec-9-ene-1-carboxylate
CID 101394724

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134852815) is (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCC[C@@H](C/C=C/C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HQOVHTAQHPCLLC-LVZOBRCSSA-N. The full InChI is InChI=1S/C44H53NO4Si/c1-7-8-13-27-37(49-50(43(4,5)6,38-29-18-11-19-30-38)39-31-20-12-21-32-39)28-22-33-40(46)45-41(34(2)3)44(48-42(45)47,35-23-14-9-15-24-35)36-25-16-10-17-26-36/h9-12,14-26,29-34,37,41H,7-8,13,27-28H2,1-6H3/b33-22+/t37-,41-/m0/s1.
What are the key properties of (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 688.00 g/mol, XLogP of 9.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E,5S)-5-[tert-butyl(diphenyl)silyl]oxydec-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134852815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).