(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one

C16H23NO2Si — CID 11033569

IUPAC(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)O/N=C1\CCc2ccccc2C1=O
InChIInChI=1S/C16H23NO2Si/c1-16(2,3)20(4,5)19-17-14-11-10-12-8-6-7-9-13(12)15(14)18/h6-9H,10-11H2,1-5H3/b17-14+
InChIKeyJAFPTZVQVOJUFG-SAPNQHFASA-N
MW289.45 g/mol
LogP4.19
Rot. Bonds2

About (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one

(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one (PubChem CID 11033569) has the molecular formula C16H23NO2Si and a molecular weight of 289.45 g/mol. Its IUPAC name is (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one
PubChem CID11033569
Molecular FormulaC16H23NO2Si
Molecular Weight289.45 g/mol
Exact Mass289.15
IUPAC Name(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)O/N=C1\CCc2ccccc2C1=O
InChIInChI=1S/C16H23NO2Si/c1-16(2,3)20(4,5)19-17-14-11-10-12-8-6-7-9-13(12)15(14)18/h6-9H,10-11H2,1-5H3/b17-14+
InChIKeyJAFPTZVQVOJUFG-SAPNQHFASA-N
XLogP4.19
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one (CID 11033569) is (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one is CC(C)(C)[Si](C)(C)O/N=C1\CCc2ccccc2C1=O.
What is the InChIKey of (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one?
The InChIKey is JAFPTZVQVOJUFG-SAPNQHFASA-N. The full InChI is InChI=1S/C16H23NO2Si/c1-16(2,3)20(4,5)19-17-14-11-10-12-8-6-7-9-13(12)15(14)18/h6-9H,10-11H2,1-5H3/b17-14+.
What are the key properties of (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one?
(2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one has a molecular weight of 289.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[tert-butyl(dimethyl)silyl]oxyimino-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 11033569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).