6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one

C21H36O2Si2 — CID 100968424

IUPAC6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CCC2
InChIInChI=1S/C21H36O2Si2/c1-21(2,3)25(7,8)23-13-12-16-14-17-10-9-11-18(22)20(17)19(15-16)24(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyRSKPXNUIDQABJQ-UHFFFAOYSA-N
MW376.69 g/mol
LogP5.32
Rot. Bonds5

About 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one

6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 100968424) has the molecular formula C21H36O2Si2 and a molecular weight of 376.69 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID100968424
Molecular FormulaC21H36O2Si2
Molecular Weight376.69 g/mol
Exact Mass376.23
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CCC2
InChIInChI=1S/C21H36O2Si2/c1-21(2,3)25(7,8)23-13-12-16-14-17-10-9-11-18(22)20(17)19(15-16)24(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyRSKPXNUIDQABJQ-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.69
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one (CID 100968424) is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one is CC(C)(C)[Si](C)(C)OCCc1cc2c(c([Si](C)(C)C)c1)C(=O)CCC2.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RSKPXNUIDQABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2Si2/c1-21(2,3)25(7,8)23-13-12-16-14-17-10-9-11-18(22)20(17)19(15-16)24(4,5)6/h14-15H,9-13H2,1-8H3.
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 376.69 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-trimethylsilyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 100968424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).