tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C20H33NO3Si — CID 67178084

IUPACtert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CC[Si](C)(C)c2ccccc2)COC1(C)C
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-16(15-23-20(21,4)5)13-14-25(6,7)17-11-9-8-10-12-17/h8-12,16H,13-15H2,1-7H3
InChIKeyYXXVBDBJBNOYOT-UHFFFAOYSA-N
MW363.57 g/mol
LogP4.36
Rot. Bonds4

About tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 67178084) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID67178084
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CC[Si](C)(C)c2ccccc2)COC1(C)C
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-16(15-23-20(21,4)5)13-14-25(6,7)17-11-9-8-10-12-17/h8-12,16H,13-15H2,1-7H3
InChIKeyYXXVBDBJBNOYOT-UHFFFAOYSA-N
XLogP4.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 67178084) is tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CC[Si](C)(C)c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YXXVBDBJBNOYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-19(2,3)24-18(22)21-16(15-23-20(21,4)5)13-14-25(6,7)17-11-9-8-10-12-17/h8-12,16H,13-15H2,1-7H3.
What are the key properties of tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 363.57 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 67178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).