(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one

C26H41NO4Si — CID 54597395

IUPAC(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](C/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO4Si/c1-8-22(16-12-13-20(2)18-31-32(6,7)26(3,4)5)24(28)27-23(19-30-25(27)29)17-21-14-10-9-11-15-21/h9-15,20,22-23H,8,16-19H2,1-7H3/b13-12+/t20-,22+,23-/m1/s1
InChIKeyOMLRPVCGKKDAOH-DYMDWBQJSA-N
MW459.70 g/mol
LogP6.21
Rot. Bonds10

About (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 54597395) has the molecular formula C26H41NO4Si and a molecular weight of 459.70 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID54597395
Molecular FormulaC26H41NO4Si
Molecular Weight459.70 g/mol
Exact Mass459.28
IUPAC Name(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](C/C=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO4Si/c1-8-22(16-12-13-20(2)18-31-32(6,7)26(3,4)5)24(28)27-23(19-30-25(27)29)17-21-14-10-9-11-15-21/h9-15,20,22-23H,8,16-19H2,1-7H3/b13-12+/t20-,22+,23-/m1/s1
InChIKeyOMLRPVCGKKDAOH-DYMDWBQJSA-N
XLogP6.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.70
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
(2S)a1a[(4S)a4aBenzyla2aoxoa1,3aoxazolidina3ayl]a2a methylpentanea1,3adione
CID 11822363
(4R)-4-benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 24905500
(4R)-4-benzyl-3-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 24905501
(S)-4-benzyl-3-((S)-4,4,4-trifluoro-3-methylbutanoyl)oxazolidin-2-one
CID 57884386
(4S)-4-Benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
4-Fluorobenzyloxazolidinone
CID 130408416
(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one
CID 130408542

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one (CID 54597395) is (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one is CC[C@@H](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-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is OMLRPVCGKKDAOH-DYMDWBQJSA-N. The full InChI is InChI=1S/C26H41NO4Si/c1-8-22(16-12-13-20(2)18-31-32(6,7)26(3,4)5)24(28)27-23(19-30-25(27)29)17-21-14-10-9-11-15-21/h9-15,20,22-23H,8,16-19H2,1-7H3/b13-12+/t20-,22+,23-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 459.70 g/mol, XLogP of 6.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54597395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).