(4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one

C28H37NO4Si — CID 140703023

IUPAC(4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)O[C@](C)([C@@H](CC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C(C)=O
InChIInChI=1S/C28H37NO4Si/c1-8-20-29-25(21(3)30)28(7,32-26(29)31)24(9-2)33-34(27(4,5)6,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8,10-19,24-25H,1,9,20H2,2-7H3/t24-,25-,28-/m1/s1
InChIKeyNHUVCHRDQFLOBC-INNMJMHTSA-N
MW479.69 g/mol
LogP4.70
Rot. Bonds9

About (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one

(4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 140703023) has the molecular formula C28H37NO4Si and a molecular weight of 479.69 g/mol. Its IUPAC name is (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID140703023
Molecular FormulaC28H37NO4Si
Molecular Weight479.69 g/mol
Exact Mass479.25
IUPAC Name(4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)O[C@](C)([C@@H](CC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C(C)=O
InChIInChI=1S/C28H37NO4Si/c1-8-20-29-25(21(3)30)28(7,32-26(29)31)24(9-2)33-34(27(4,5)6,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8,10-19,24-25H,1,9,20H2,2-7H3/t24-,25-,28-/m1/s1
InChIKeyNHUVCHRDQFLOBC-INNMJMHTSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 54.70
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'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 140703023) is (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)O[C@](C)([C@@H](CC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C(C)=O.
What is the InChIKey of (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is NHUVCHRDQFLOBC-INNMJMHTSA-N. The full InChI is InChI=1S/C28H37NO4Si/c1-8-20-29-25(21(3)30)28(7,32-26(29)31)24(9-2)33-34(27(4,5)6,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h8,10-19,24-25H,1,9,20H2,2-7H3/t24-,25-,28-/m1/s1.
What are the key properties of (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 479.69 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-acetyl-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 140703023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).