3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one

C24H39NO3Si — CID 76800564

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccccc2)CCN(C(C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C24H39NO3Si/c1-10-16-24(20-14-12-11-13-15-20)17-18-25(21(26)27-24)19(2)23(6,7)28-29(8,9)22(3,4)5/h10-15,19H,1,16-18H2,2-9H3
InChIKeyKOESHBVWMNQGSP-UHFFFAOYSA-N
MW417.67 g/mol
LogP6.49
Rot. Bonds7

About 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one

3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one (PubChem CID 76800564) has the molecular formula C24H39NO3Si and a molecular weight of 417.67 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
PubChem CID76800564
Molecular FormulaC24H39NO3Si
Molecular Weight417.67 g/mol
Exact Mass417.27
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one
SMILESC=CCC1(c2ccccc2)CCN(C(C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C24H39NO3Si/c1-10-16-24(20-14-12-11-13-15-20)17-18-25(21(26)27-24)19(2)23(6,7)28-29(8,9)22(3,4)5/h10-15,19H,1,16-18H2,2-9H3
InChIKeyKOESHBVWMNQGSP-UHFFFAOYSA-N
XLogP6.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.67
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one (CID 76800564) is 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one is C=CCC1(c2ccccc2)CCN(C(C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
The InChIKey is KOESHBVWMNQGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3Si/c1-10-16-24(20-14-12-11-13-15-20)17-18-25(21(26)27-24)19(2)23(6,7)28-29(8,9)22(3,4)5/h10-15,19H,1,16-18H2,2-9H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one?
3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one has a molecular weight of 417.67 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-6-phenyl-6-prop-2-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 76800564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).