(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one

C27H41NO4Si — CID 134865995

IUPAC(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C27H41NO4Si/c1-8-20(5)17-21(6)25(32-33(9-2,10-3)11-4)22(7)26(29)28-24(19-31-27(28)30)18-23-15-13-12-14-16-23/h8,12-17,22,24-25H,9-11,18-19H2,1-7H3/b20-8+,21-17+/t22-,24+,25-/m1/s1
InChIKeyDICUHAIVUJHFRE-SNISTVFCSA-N
MW471.71 g/mol
LogP6.52
Rot. Bonds11

About (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one (PubChem CID 134865995) has the molecular formula C27H41NO4Si and a molecular weight of 471.71 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one
PubChem CID134865995
Molecular FormulaC27H41NO4Si
Molecular Weight471.71 g/mol
Exact Mass471.28
IUPAC Name(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C27H41NO4Si/c1-8-20(5)17-21(6)25(32-33(9-2,10-3)11-4)22(7)26(29)28-24(19-31-27(28)30)18-23-15-13-12-14-16-23/h8,12-17,22,24-25H,9-11,18-19H2,1-7H3/b20-8+,21-17+/t22-,24+,25-/m1/s1
InChIKeyDICUHAIVUJHFRE-SNISTVFCSA-N
XLogP6.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.71
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(2S)a1a[(4S)a4aBenzyla2aoxoa1,3aoxazolidina3ayl]a2a methylpentanea1,3adione
CID 11822363
(R)-4-benzyl-3-((S)-2-methylpent-4-enoyl)oxazolidin-2-one
CID 9970521
(S)-4-Benzyl-3-hexanoyl-2-oxazolidinone
CID 10612452
(4S)-4-benzyl-3-[(2S)-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 11033035
(4R)-4-benzyl-3-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11370014
(4S)-4-benzyl-3-[(E,2S,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)hex-4-enoyl]-1,3-oxazolidin-2-one
CID 72547436
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 102223812
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023007
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023031

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one (CID 134865995) is (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one is C/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one?
The InChIKey is DICUHAIVUJHFRE-SNISTVFCSA-N. The full InChI is InChI=1S/C27H41NO4Si/c1-8-20(5)17-21(6)25(32-33(9-2,10-3)11-4)22(7)26(29)28-24(19-31-27(28)30)18-23-15-13-12-14-16-23/h8,12-17,22,24-25H,9-11,18-19H2,1-7H3/b20-8+,21-17+/t22-,24+,25-/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one has a molecular weight of 471.71 g/mol, XLogP of 6.52, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2R,3S,4E,6E)-2,4,6-trimethyl-3-triethylsilyloxyocta-4,6-dienoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134865995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).