tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane

C19H31NO3Si — CID 11371520

IUPACtert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane
SMILESC=C1[C@@H](c2ccccc2)C[C@](C)(OC)ON1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO3Si/c1-15-17(16-12-10-9-11-13-16)14-19(5,21-6)22-20(15)23-24(7,8)18(2,3)4/h9-13,17H,1,14H2,2-8H3/t17-,19+/m0/s1
InChIKeyGJOFQKYDJNUMPL-PKOBYXMFSA-N
MW349.55 g/mol
LogP5.22
Rot. Bonds4

About tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane

tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane (PubChem CID 11371520) has the molecular formula C19H31NO3Si and a molecular weight of 349.55 g/mol. Its IUPAC name is tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane
PubChem CID11371520
Molecular FormulaC19H31NO3Si
Molecular Weight349.55 g/mol
Exact Mass349.21
IUPAC Nametert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane
SMILESC=C1[C@@H](c2ccccc2)C[C@](C)(OC)ON1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO3Si/c1-15-17(16-12-10-9-11-13-16)14-19(5,21-6)22-20(15)23-24(7,8)18(2,3)4/h9-13,17H,1,14H2,2-8H3/t17-,19+/m0/s1
InChIKeyGJOFQKYDJNUMPL-PKOBYXMFSA-N
XLogP5.22
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane (CID 11371520) is tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane is C=C1[C@@H](c2ccccc2)C[C@](C)(OC)ON1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane?
The InChIKey is GJOFQKYDJNUMPL-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H31NO3Si/c1-15-17(16-12-10-9-11-13-16)14-19(5,21-6)22-20(15)23-24(7,8)18(2,3)4/h9-13,17H,1,14H2,2-8H3/t17-,19+/m0/s1.
What are the key properties of tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane?
tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane has a molecular weight of 349.55 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,6R)-6-methoxy-6-methyl-3-methylidene-4-phenyloxazinan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11371520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).