(4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C28H47NO6Si — CID 164675287

IUPAC(4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(COC[C@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc1
InChIInChI=1S/C28H47NO6Si/c1-20(2)24-18-34-26(31)29(24)25(30)22(17-33-16-21-11-13-23(32-8)14-12-21)15-28(6,7)19-35-36(9,10)27(3,4)5/h11-14,20,22,24H,15-19H2,1-10H3/t22-,24-/m0/s1
InChIKeyRJYUYZHZMSNTPU-UPVQGACJSA-N
MW521.77 g/mol
LogP6.27
Rot. Bonds12

About (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 164675287) has the molecular formula C28H47NO6Si and a molecular weight of 521.77 g/mol. Its IUPAC name is (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID164675287
Molecular FormulaC28H47NO6Si
Molecular Weight521.77 g/mol
Exact Mass521.32
IUPAC Name(4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(COC[C@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc1
InChIInChI=1S/C28H47NO6Si/c1-20(2)24-18-34-26(31)29(24)25(30)22(17-33-16-21-11-13-23(32-8)14-12-21)15-28(6,7)19-35-36(9,10)27(3,4)5/h11-14,20,22,24H,15-19H2,1-10H3/t22-,24-/m0/s1
InChIKeyRJYUYZHZMSNTPU-UPVQGACJSA-N
XLogP6.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.77
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 164675287) is (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccc(COC[C@H](CC(C)(C)CO[Si](C)(C)C(C)(C)C)C(=O)N2C(=O)OC[C@H]2C(C)C)cc1.
What is the InChIKey of (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RJYUYZHZMSNTPU-UPVQGACJSA-N. The full InChI is InChI=1S/C28H47NO6Si/c1-20(2)24-18-34-26(31)29(24)25(30)22(17-33-16-21-11-13-23(32-8)14-12-21)15-28(6,7)19-35-36(9,10)27(3,4)5/h11-14,20,22,24H,15-19H2,1-10H3/t22-,24-/m0/s1.
What are the key properties of (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 521.77 g/mol, XLogP of 6.27, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxymethyl]-4,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 164675287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).