(4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one

C33H55NO6Si — CID 11093146

IUPAC(4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@@H](O)[C@H](CC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H55NO6Si/c1-11-13-17-23(3)30(38-8)24(4)29(40-41(9,10)33(5,6)7)21-28(35)27(12-2)31(36)34-26(22-39-32(34)37)20-25-18-15-14-16-19-25/h11,13-16,18-19,23-24,26-30,35H,12,17,20-22H2,1-10H3/b13-11+/t23-,24-,26-,27-,28+,29+,30+/m0/s1
InChIKeyZSGKIXWKEQBTGO-MIZOXVLRSA-N
MW589.89 g/mol
LogP7.00
Rot. Bonds15

About (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11093146) has the molecular formula C33H55NO6Si and a molecular weight of 589.89 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one
PubChem CID11093146
Molecular FormulaC33H55NO6Si
Molecular Weight589.89 g/mol
Exact Mass589.38
IUPAC Name(4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@@H](O)[C@H](CC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H55NO6Si/c1-11-13-17-23(3)30(38-8)24(4)29(40-41(9,10)33(5,6)7)21-28(35)27(12-2)31(36)34-26(22-39-32(34)37)20-25-18-15-14-16-19-25/h11,13-16,18-19,23-24,26-30,35H,12,17,20-22H2,1-10H3/b13-11+/t23-,24-,26-,27-,28+,29+,30+/m0/s1
InChIKeyZSGKIXWKEQBTGO-MIZOXVLRSA-N
XLogP7.00
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.89
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(4R)-4-benzyl-3-[(2R,3R,4S,6S)-3,7-dihydroxy-4-methoxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 137646396
(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
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)-N-[(2S,4S,5R)-2,4-dimethyl-5-hydroxy-3-oxoheptanoyl]-4-benzyl-2-oxazolidinone
CID 56985563
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
(4R)-4-benzyl-3-[(2R,3S,4R,6E,8E)-3-hydroxy-2,4-dimethyldeca-6,8-dienoyl]-1,3-oxazolidin-2-one
CID 89857080

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one (CID 11093146) is (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one is C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@@H](O)[C@H](CC)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZSGKIXWKEQBTGO-MIZOXVLRSA-N. The full InChI is InChI=1S/C33H55NO6Si/c1-11-13-17-23(3)30(38-8)24(4)29(40-41(9,10)33(5,6)7)21-28(35)27(12-2)31(36)34-26(22-39-32(34)37)20-25-18-15-14-16-19-25/h11,13-16,18-19,23-24,26-30,35H,12,17,20-22H2,1-10H3/b13-11+/t23-,24-,26-,27-,28+,29+,30+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 589.89 g/mol, XLogP of 7.00, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(E,2S,3R,5R,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-hydroxy-7-methoxy-6,8-dimethyldodec-10-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11093146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).