3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C24H45NO6Si — CID 163012731

IUPAC3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1(C)OC(C)(C)OC1C(C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C24H45NO6Si/c1-13-18(30-32(11,12)22(5,6)7)24(10)19(29-23(8,9)31-24)16(4)20(26)25-17(15(2)3)14-28-21(25)27/h15-19H,13-14H2,1-12H3
InChIKeyRGRCZGBEYSJVDE-UHFFFAOYSA-N
MW471.71 g/mol
LogP5.34
Rot. Bonds7

About 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 163012731) has the molecular formula C24H45NO6Si and a molecular weight of 471.71 g/mol. Its IUPAC name is 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID163012731
Molecular FormulaC24H45NO6Si
Molecular Weight471.71 g/mol
Exact Mass471.30
IUPAC Name3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1(C)OC(C)(C)OC1C(C)C(=O)N1C(=O)OCC1C(C)C
InChIInChI=1S/C24H45NO6Si/c1-13-18(30-32(11,12)22(5,6)7)24(10)19(29-23(8,9)31-24)16(4)20(26)25-17(15(2)3)14-28-21(25)27/h15-19H,13-14H2,1-12H3
InChIKeyRGRCZGBEYSJVDE-UHFFFAOYSA-N
XLogP5.34
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.71
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-1-carboxylate
CID 10623135
tert-butyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10741255
tert-butyl (2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10765038
tert-butyl (3S,5R)-3,5-bis[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-oxopyrrolidine-1-carboxylate
CID 11714492
tert-butyl (2R,3R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 23256024
(4S)-3-[(2S)-2-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163012732
(4S)-3-[(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163012733
3-[3-(1-Ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163052449
(4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163052450
3-[3-(3-Ethyl-2-methyloxiran-2-yl)-3-(methoxymethoxy)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163055097
(4S)-3-[(2R,3R)-3-(3-ethyl-2-methyloxiran-2-yl)-3-(methoxymethoxy)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 163055098

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 163012731) is 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(O[Si](C)(C)C(C)(C)C)C1(C)OC(C)(C)OC1C(C)C(=O)N1C(=O)OCC1C(C)C.
What is the InChIKey of 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RGRCZGBEYSJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO6Si/c1-13-18(30-32(11,12)22(5,6)7)24(10)19(29-23(8,9)31-24)16(4)20(26)25-17(15(2)3)14-28-21(25)27/h15-19H,13-14H2,1-12H3.
What are the key properties of 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 471.71 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163012731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).