(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one

C25H39NO4Si2 — CID 134875401

IUPAC(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[C@@H](/C=C/[Si](C)(C)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H39NO4Si2/c1-10-20(23(27)26-22(25(2,3)4)18-29-24(26)28)21(30-31(5,6)7)16-17-32(8,9)19-14-12-11-13-15-19/h10-17,20-22H,1,18H2,2-9H3/b17-16+/t20-,21+,22+/m0/s1
InChIKeyFHUJCMKWYGOKGT-WJQFMQRSSA-N
MW473.76 g/mol
LogP5.11
Rot. Bonds8

About (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one

(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 134875401) has the molecular formula C25H39NO4Si2 and a molecular weight of 473.76 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID134875401
Molecular FormulaC25H39NO4Si2
Molecular Weight473.76 g/mol
Exact Mass473.24
IUPAC Name(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[C@@H](/C=C/[Si](C)(C)c1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C25H39NO4Si2/c1-10-20(23(27)26-22(25(2,3)4)18-29-24(26)28)21(30-31(5,6)7)16-17-32(8,9)19-14-12-11-13-15-19/h10-17,20-22H,1,18H2,2-9H3/b17-16+/t20-,21+,22+/m0/s1
InChIKeyFHUJCMKWYGOKGT-WJQFMQRSSA-N
XLogP5.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.76
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
(4R)-4-Benzyl-3-[(2S,3R)-2,4-dimethyl-3-(trimethylsiloxy)pent-4-enoyl)]-oxazolidin-2-one
CID 53470469
(4R)-4-Benzyl-3-[(2S,3R)-2-(CD3)-methyl,4-methyl-3-(trimethylsiloxy)pent-4-enoyl)]-oxazolidin-2-one
CID 53470477
(4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 57382150
(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one
CID 134865995
(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 135065742
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enoyl]-1,3-oxazolidin-2-one
CID 145945191
(4S)-4-benzyl-3-[(2S,3R,4E,6E)-2,6-dimethyl-3-triethylsilyloxynona-4,6-dienoyl]-1,3-oxazolidin-2-one
CID 166445260
(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11199712
(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 11122599
4-Benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 21923422
(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 59015194

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one (CID 134875401) is (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one is C=C[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[C@@H](/C=C/[Si](C)(C)c1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is FHUJCMKWYGOKGT-WJQFMQRSSA-N. The full InChI is InChI=1S/C25H39NO4Si2/c1-10-20(23(27)26-22(25(2,3)4)18-29-24(26)28)21(30-31(5,6)7)16-17-32(8,9)19-14-12-11-13-15-19/h10-17,20-22H,1,18H2,2-9H3/b17-16+/t20-,21+,22+/m0/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 473.76 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134875401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).