(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one

C32H57NO5Si2 — CID 134845347

IUPAC(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C32H57NO5Si2/c1-23(19-24(2)29(34)33-27(22-36-30(33)35)20-26-17-15-14-16-18-26)28(38-40(12,13)32(7,8)9)25(3)21-37-39(10,11)31(4,5)6/h14-18,23-25,27-28H,19-22H2,1-13H3/t23-,24+,25-,27+,28-/m0/s1
InChIKeyTUMGPMRIJDQWKP-FRINSPPISA-N
MW591.98 g/mol
LogP8.29
Rot. Bonds12

About (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 134845347) has the molecular formula C32H57NO5Si2 and a molecular weight of 591.98 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID134845347
Molecular FormulaC32H57NO5Si2
Molecular Weight591.98 g/mol
Exact Mass591.38
IUPAC Name(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C32H57NO5Si2/c1-23(19-24(2)29(34)33-27(22-36-30(33)35)20-26-17-15-14-16-18-26)28(38-40(12,13)32(7,8)9)25(3)21-37-39(10,11)31(4,5)6/h14-18,23-25,27-28H,19-22H2,1-13H3/t23-,24+,25-,27+,28-/m0/s1
InChIKeyTUMGPMRIJDQWKP-FRINSPPISA-N
XLogP8.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.98
LogP ≤ 58.29
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,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-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-[(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
(4S)-4-benzyl-3-[(3S)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 14935662
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
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4R)-4-benzyl-3-[(2R,3E)-2-benzyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 11495484
(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
(4S)-N-[(2S,4S,5R)-2,4-dimethyl-5-hydroxy-3-oxoheptanoyl]-4-benzyl-2-oxazolidinone
CID 56985563
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
3-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one
CID 12111618
3-[5-[Dimethyl(propan-2-yl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 58811472

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one (CID 134845347) is (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one is C[C@H](C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is TUMGPMRIJDQWKP-FRINSPPISA-N. The full InChI is InChI=1S/C32H57NO5Si2/c1-23(19-24(2)29(34)33-27(22-36-30(33)35)20-26-17-15-14-16-18-26)28(38-40(12,13)32(7,8)9)25(3)21-37-39(10,11)31(4,5)6/h14-18,23-25,27-28H,19-22H2,1-13H3/t23-,24+,25-,27+,28-/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 591.98 g/mol, XLogP of 8.29, 12 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,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134845347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).