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

C28H45NO6Si — CID 163053916

IUPAC3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-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)OC(c2ccccc2)C1C
InChIInChI=1S/C28H45NO6Si/c1-12-21(34-36(10,11)26(4,5)6)28(9)23(33-27(7,8)35-28)18(2)24(30)29-19(3)22(32-25(29)31)20-16-14-13-15-17-20/h13-19,21-23H,12H2,1-11H3
InChIKeyMHVWYQXMFPWHMB-UHFFFAOYSA-N
MW519.76 g/mol
LogP6.44
Rot. Bonds7

About 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-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-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 163053916) has the molecular formula C28H45NO6Si and a molecular weight of 519.76 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-methyl-5-phenyl-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-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID163053916
Molecular FormulaC28H45NO6Si
Molecular Weight519.76 g/mol
Exact Mass519.30
IUPAC Name3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-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)OC(c2ccccc2)C1C
InChIInChI=1S/C28H45NO6Si/c1-12-21(34-36(10,11)26(4,5)6)28(9)23(33-27(7,8)35-28)18(2)24(30)29-19(3)22(32-25(29)31)20-16-14-13-15-17-20/h13-19,21-23H,12H2,1-11H3
InChIKeyMHVWYQXMFPWHMB-UHFFFAOYSA-N
XLogP6.44
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.76
LogP ≤ 56.44
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 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-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-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 163053916) is 3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-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-methyl-5-phenyl-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-methyl-5-phenyl-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)OC(c2ccccc2)C1C.
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-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MHVWYQXMFPWHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO6Si/c1-12-21(34-36(10,11)26(4,5)6)28(9)23(33-27(7,8)35-28)18(2)24(30)29-19(3)22(32-25(29)31)20-16-14-13-15-17-20/h13-19,21-23H,12H2,1-11H3.
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-methyl-5-phenyl-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-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 519.76 g/mol, XLogP of 6.44, 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-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163053916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).