3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one

C26H33NO4Si — CID 12018407

IUPAC3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C/C=C/C(=O)N1CCOC1=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H33NO4Si/c1-21(12-11-17-24(28)27-18-19-30-25(27)29)20-31-32(26(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-11,13-17,21H,12,18-20H2,1-4H3/b17-11+/t21-/m1/s1
InChIKeyJCOXOXKLWQBJKO-KDHISYJLSA-N
MW451.64 g/mol
LogP4.12
Rot. Bonds8

About 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one

3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 12018407) has the molecular formula C26H33NO4Si and a molecular weight of 451.64 g/mol. Its IUPAC name is 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID12018407
Molecular FormulaC26H33NO4Si
Molecular Weight451.64 g/mol
Exact Mass451.22
IUPAC Name3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C/C=C/C(=O)N1CCOC1=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H33NO4Si/c1-21(12-11-17-24(28)27-18-19-30-25(27)29)20-31-32(26(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-11,13-17,21H,12,18-20H2,1-4H3/b17-11+/t21-/m1/s1
InChIKeyJCOXOXKLWQBJKO-KDHISYJLSA-N
XLogP4.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10906494
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 101218123
3-[6-[Tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
CID 135023889
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]hex-2-enoate
CID 135023890
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 89850656
benzene;3-[(E)-3-(4-ethoxycyclohexyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 144917328
Tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylidene-2-oxopyrrolidine-1-carboxylate
CID 164561704
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 175819406
tert-butyl (4R)-4-[5-[tert-butyl(diphenyl)silyl]oxypent-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176199505
tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-(2-pent-4-enoxyethyl)carbamate
CID 176389423
(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-2-enamide
CID 10526317
3-[(4R)-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-4-yl]-1,3-oxazolidine-2,4-dione
CID 10623485

Frequently Asked Questions

What is the IUPAC name of 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one (CID 12018407) is 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one is C[C@H](C/C=C/C(=O)N1CCOC1=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is JCOXOXKLWQBJKO-KDHISYJLSA-N. The full InChI is InChI=1S/C26H33NO4Si/c1-21(12-11-17-24(28)27-18-19-30-25(27)29)20-31-32(26(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-11,13-17,21H,12,18-20H2,1-4H3/b17-11+/t21-/m1/s1.
What are the key properties of 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 451.64 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12018407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).