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

C31H55NO5Si2 — CID 134845256

IUPAC(4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO5Si2/c1-23(18-19-27(33)32-26(22-35-29(32)34)20-25-16-14-13-15-17-25)28(37-39(11,12)31(6,7)8)24(2)21-36-38(9,10)30(3,4)5/h13-17,23-24,26,28H,18-22H2,1-12H3/t23-,24-,26+,28-/m0/s1
InChIKeyIZJJMTBSPLKVQM-XWZVPRMZSA-N
MW577.96 g/mol
LogP8.04
Rot. Bonds12

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

(4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 134845256) has the molecular formula C31H55NO5Si2 and a molecular weight of 577.96 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID134845256
Molecular FormulaC31H55NO5Si2
Molecular Weight577.96 g/mol
Exact Mass577.36
IUPAC Name(4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO5Si2/c1-23(18-19-27(33)32-26(22-35-29(32)34)20-25-16-14-13-15-17-25)28(37-39(11,12)31(6,7)8)24(2)21-36-38(9,10)30(3,4)5/h13-17,23-24,26,28H,18-22H2,1-12H3/t23-,24-,26+,28-/m0/s1
InChIKeyIZJJMTBSPLKVQM-XWZVPRMZSA-N
XLogP8.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.96
LogP ≤ 58.04
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-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-((1-methoxy-5-methylcyclohexen-4-yl)carbonyl)-2-oxazolidinone
CID 126832
(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-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(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
(r)-4-Benzyl-3-decanoyloxazolidin-2-one
CID 24854556
(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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (CID 134845256) is (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is C[C@@H](CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is IZJJMTBSPLKVQM-XWZVPRMZSA-N. The full InChI is InChI=1S/C31H55NO5Si2/c1-23(18-19-27(33)32-26(22-35-29(32)34)20-25-16-14-13-15-17-25)28(37-39(11,12)31(6,7)8)24(2)21-36-38(9,10)30(3,4)5/h13-17,23-24,26,28H,18-22H2,1-12H3/t23-,24-,26+,28-/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 577.96 g/mol, XLogP of 8.04, 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-[(4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134845256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).