3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C30H43NO5Si — CID 123542346

IUPAC3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(O)c1ccc2ccc(C=CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)N3C(=O)OCC3C(C)C)cc2c1
InChIInChI=1S/C30H43NO5Si/c1-20(2)26-18-35-28(34)31(26)27(33)30(7,19-36-37(8,9)29(4,5)6)15-14-22-10-11-23-12-13-24(21(3)32)17-25(23)16-22/h10-17,20-21,26,32H,18-19H2,1-9H3
InChIKeyIQQUMSLHFWEOPH-UHFFFAOYSA-N
MW525.76 g/mol
LogP6.94
Rot. Bonds8

About 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 123542346) has the molecular formula C30H43NO5Si and a molecular weight of 525.76 g/mol. Its IUPAC name is 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID123542346
Molecular FormulaC30H43NO5Si
Molecular Weight525.76 g/mol
Exact Mass525.29
IUPAC Name3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(O)c1ccc2ccc(C=CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)N3C(=O)OCC3C(C)C)cc2c1
InChIInChI=1S/C30H43NO5Si/c1-20(2)26-18-35-28(34)31(26)27(33)30(7,19-36-37(8,9)29(4,5)6)15-14-22-10-11-23-12-13-24(21(3)32)17-25(23)16-22/h10-17,20-21,26,32H,18-19H2,1-9H3
InChIKeyIQQUMSLHFWEOPH-UHFFFAOYSA-N
XLogP6.94
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.76
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(2S)-2-methyl-2-(phenylmethoxymethyl)but-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101068861
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]heptane-1,5-dione
CID 11315942
(4S)-3-[(2S,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102443693
(4S)-3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69172035
4-[(E)-2-[7-[(1R)-1-hydroxyethyl]naphthalen-2-yl]ethenyl]oxane-4-carboxylic acid
CID 138507286
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
2,2-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanoic acid
CID 57209681
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15349555
(4S)-3-[(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15706456
(4S)-3-[(2R,3S)-2-chloro-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13347887
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 123542346) is 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(O)c1ccc2ccc(C=CC(C)(CO[Si](C)(C)C(C)(C)C)C(=O)N3C(=O)OCC3C(C)C)cc2c1.
What is the InChIKey of 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IQQUMSLHFWEOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO5Si/c1-20(2)26-18-35-28(34)31(26)27(33)30(7,19-36-37(8,9)29(4,5)6)15-14-22-10-11-23-12-13-24(21(3)32)17-25(23)16-22/h10-17,20-21,26,32H,18-19H2,1-9H3.
What are the key properties of 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 525.76 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[7-(1-hydroxyethyl)naphthalen-2-yl]-2-methylbut-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123542346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).