(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one

C27H41NO5Si — CID 134831589

IUPAC(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC=CC[C@@H]1O[C@@H](OCC[Si](C)(C)C)C[C@@H]1C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C27H41NO5Si/c1-20(26(29)28-23(19-32-27(28)30)18-22-12-7-6-8-13-22)11-9-10-14-24-21(2)17-25(33-24)31-15-16-34(3,4)5/h6-10,12-13,20-21,23-25H,11,14-19H2,1-5H3/t20-,21-,23+,24-,25+/m0/s1
InChIKeyGCKVHZFJFLYVCX-QYQUALKTSA-N
MW487.71 g/mol
LogP5.65
Rot. Bonds11

About (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 134831589) has the molecular formula C27H41NO5Si and a molecular weight of 487.71 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID134831589
Molecular FormulaC27H41NO5Si
Molecular Weight487.71 g/mol
Exact Mass487.28
IUPAC Name(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC=CC[C@@H]1O[C@@H](OCC[Si](C)(C)C)C[C@@H]1C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C27H41NO5Si/c1-20(26(29)28-23(19-32-27(28)30)18-22-12-7-6-8-13-22)11-9-10-14-24-21(2)17-25(33-24)31-15-16-34(3,4)5/h6-10,12-13,20-21,23-25H,11,14-19H2,1-5H3/t20-,21-,23+,24-,25+/m0/s1
InChIKeyGCKVHZFJFLYVCX-QYQUALKTSA-N
XLogP5.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.71
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(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
(4S)-4-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
(4S)-3-[4-(t-butyldimethylsilyloxy)butanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 54671782
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
(4R)-4-benzyl-3-[(2S,4E)-2-triethylsilyloxy-5-(trifluoromethyl)octa-4,7-dienoyl]-1,3-oxazolidin-2-one
CID 68033517
(4R)-4-benzyl-3-[(2S)-4,4,4-trifluoro-2-(2-trimethylsilylethoxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 141756916
(4R)-4-benzyl-3-[4,4,4-trifluoro-2-(2-trimethylsilylethoxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 173815639
4-Benzyl-3-[4,4,4-trifluoro-2-(2-trimethylsilylethoxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 173815640
(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 14783203
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one
CID 25186473
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one (CID 134831589) is (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one is C[C@@H](CC=CC[C@@H]1O[C@@H](OCC[Si](C)(C)C)C[C@@H]1C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is GCKVHZFJFLYVCX-QYQUALKTSA-N. The full InChI is InChI=1S/C27H41NO5Si/c1-20(26(29)28-23(19-32-27(28)30)18-22-12-7-6-8-13-22)11-9-10-14-24-21(2)17-25(33-24)31-15-16-34(3,4)5/h6-10,12-13,20-21,23-25H,11,14-19H2,1-5H3/t20-,21-,23+,24-,25+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 487.71 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134831589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).