4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one

C17H27NO4Si — CID 66774191

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)CO2
InChIInChI=1S/C17H27NO4Si/c1-17(2,3)23(5,6)22-10-9-18-14-11-13(20-4)7-8-15(14)21-12-16(18)19/h7-8,11H,9-10,12H2,1-6H3
InChIKeyFZEXZYFZKHSBCW-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.44
Rot. Bonds5

About 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one

4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one (PubChem CID 66774191) has the molecular formula C17H27NO4Si and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one
PubChem CID66774191
Molecular FormulaC17H27NO4Si
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)CO2
InChIInChI=1S/C17H27NO4Si/c1-17(2,3)23(5,6)22-10-9-18-14-11-13(20-4)7-8-15(14)21-12-16(18)19/h7-8,11H,9-10,12H2,1-6H3
InChIKeyFZEXZYFZKHSBCW-UHFFFAOYSA-N
XLogP3.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.44
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 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one (CID 66774191) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one is COc1ccc2c(c1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)CO2.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one?
The InChIKey is FZEXZYFZKHSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4Si/c1-17(2,3)23(5,6)22-10-9-18-14-11-13(20-4)7-8-15(14)21-12-16(18)19/h7-8,11H,9-10,12H2,1-6H3.
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one?
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one has a molecular weight of 337.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 66774191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).