(4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one

C33H59NO5Si2 — CID 134901570

IUPAC(4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C33H59NO5Si2/c1-13-40(14-2,15-3)39-31(26(10)28(12)38-41(23(4)5,24(6)7)25(8)9)27(11)32(35)34-30(22-37-33(34)36)21-29-19-17-16-18-20-29/h16-20,23-28,30-31H,13-15,21-22H2,1-12H3/t26-,27+,28+,30+,31-/m0/s1
InChIKeyFTOOCFNYXJGKDE-AXMRGSGCSA-N
MW606.01 g/mol
LogP8.82
Rot. Bonds16

About (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 134901570) has the molecular formula C33H59NO5Si2 and a molecular weight of 606.01 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
PubChem CID134901570
Molecular FormulaC33H59NO5Si2
Molecular Weight606.01 g/mol
Exact Mass605.39
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C33H59NO5Si2/c1-13-40(14-2,15-3)39-31(26(10)28(12)38-41(23(4)5,24(6)7)25(8)9)27(11)32(35)34-30(22-37-33(34)36)21-29-19-17-16-18-20-29/h16-20,23-28,30-31H,13-15,21-22H2,1-12H3/t26-,27+,28+,30+,31-/m0/s1
InChIKeyFTOOCFNYXJGKDE-AXMRGSGCSA-N
XLogP8.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.01
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(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
tert-butyl 2-[(1S,5R)-5-[(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropyl]cyclopent-2-en-1-yl]acetate
CID 71479947
(4S)-4-Benzyl-3[(2S,3R)-(3-hydroxy-2-methylpentanoyl)]oxazolidin-2-on
CID 11022653
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 12099261
(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-[(2R,3S,4R,6E,8E)-3-hydroxy-2,4-dimethyldeca-6,8-dienoyl]-1,3-oxazolidin-2-one
CID 89857080
Tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815845
2-(R)-[2-(S)-benzyl-1-(S)-(tert-butyl-dimethylsilanyloxy)-3-(4-(S)-isopropyl-2-oxo-oxazolidin-3-yl)-3-oxopropyl]-4-(R)-fluoropyrrolidine-1-carboxylic acid tert-butyl ester
CID 68815846

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one (CID 134901570) is (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FTOOCFNYXJGKDE-AXMRGSGCSA-N. The full InChI is InChI=1S/C33H59NO5Si2/c1-13-40(14-2,15-3)39-31(26(10)28(12)38-41(23(4)5,24(6)7)25(8)9)27(11)32(35)34-30(22-37-33(34)36)21-29-19-17-16-18-20-29/h16-20,23-28,30-31H,13-15,21-22H2,1-12H3/t26-,27+,28+,30+,31-/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 606.01 g/mol, XLogP of 8.82, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S,4S,5R)-2,4-dimethyl-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134901570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).