(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one

C32H43NO4Si — CID 100993211

IUPAC(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](C[C@H](C/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H43NO4Si/c1-7-15-26(36-23-25-16-10-8-11-17-25)22-28(38(5,6)27-18-12-9-13-19-27)20-14-21-30(34)33-29(32(2,3)4)24-37-31(33)35/h7-14,16-19,21,26,28-29H,1,15,20,22-24H2,2-6H3/b21-14+/t26-,28+,29-/m1/s1
InChIKeyXSYZURKLJOUXLO-MCNCDZDZSA-N
MW533.79 g/mol
LogP6.86
Rot. Bonds12

About (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one

(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one (PubChem CID 100993211) has the molecular formula C32H43NO4Si and a molecular weight of 533.79 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one
PubChem CID100993211
Molecular FormulaC32H43NO4Si
Molecular Weight533.79 g/mol
Exact Mass533.30
IUPAC Name(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](C[C@H](C/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C32H43NO4Si/c1-7-15-26(36-23-25-16-10-8-11-17-25)22-28(38(5,6)27-18-12-9-13-19-27)20-14-21-30(34)33-29(32(2,3)4)24-37-31(33)35/h7-14,16-19,21,26,28-29H,1,15,20,22-24H2,2-6H3/b21-14+/t26-,28+,29-/m1/s1
InChIKeyXSYZURKLJOUXLO-MCNCDZDZSA-N
XLogP6.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.79
LogP ≤ 56.86
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[(3S,5R,7S)-3,5-bis[dimethyl(phenyl)silyl]-7-phenylmethoxydec-9-enoyl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 100993216
(4R)-4-benzyl-3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
CID 12018409
(4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 10908274
(4S)-4-tert-butyl-3-[(E)-4-methylpent-2-enoyl]-1,3-oxazolidin-2-one
CID 11310985
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
(4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one
CID 11365094
(4S)-4-benzyl-3-(4,4-dimethylpent-2-enoyl)-1,3-oxazolidin-2-one
CID 91131954
tert-butyl (2R)-2-[(1R)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]cyclopropyl]pent-4-enoate
CID 58913347
(4S)-3-[(2S)-2-methyl-2-(phenylmethoxymethyl)but-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101068861
phenyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyoct-7-enoate
CID 24997824
(4S)-3-[(2R,3R)-2-benzyl-3-hydroxy-3-phenylpropanoyl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10809871
(4S)-4-benzyl-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 101241804

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one (CID 100993211) is (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one is C=CC[C@H](C[C@H](C/C=C/C(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1)OCc1ccccc1.
What is the InChIKey of (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one?
The InChIKey is XSYZURKLJOUXLO-MCNCDZDZSA-N. The full InChI is InChI=1S/C32H43NO4Si/c1-7-15-26(36-23-25-16-10-8-11-17-25)22-28(38(5,6)27-18-12-9-13-19-27)20-14-21-30(34)33-29(32(2,3)4)24-37-31(33)35/h7-14,16-19,21,26,28-29H,1,15,20,22-24H2,2-6H3/b21-14+/t26-,28+,29-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one has a molecular weight of 533.79 g/mol, XLogP of 6.86, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(2E,5S,7R)-5-[dimethyl(phenyl)silyl]-7-phenylmethoxydeca-2,9-dienoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100993211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).