6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one

C17H26O2Si — CID 10334429

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2cc(O[Si](C)(C)C(C)(C)C)ccc2C1=O
InChIInChI=1S/C17H26O2Si/c1-12-7-8-13-11-14(9-10-15(13)16(12)18)19-20(5,6)17(2,3)4/h9-12H,7-8H2,1-6H3
InChIKeyAEKQYELAGZENDU-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.84
Rot. Bonds2

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

6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10334429) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10334429
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CCc2cc(O[Si](C)(C)C(C)(C)C)ccc2C1=O
InChIInChI=1S/C17H26O2Si/c1-12-7-8-13-11-14(9-10-15(13)16(12)18)19-20(5,6)17(2,3)4/h9-12H,7-8H2,1-6H3
InChIKeyAEKQYELAGZENDU-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone
CID 4679494
Elisabatin A
CID 397069
12-Demethylmultiorthoquinone
CID 467785
6-methoxy-2-(2-methylbenzyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11231328
2-Biphenyl-4-ylmethyl-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 11427427
2-Biphenyl-2-ylmethyl-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 11688471
2,2-diethyl-6-methoxy-3,4-dihydronaphthalen-1(2H)-one
CID 14957792
(4aS,10aS)-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 11482673
6-Hydroxy-2-(4-hydroxy-benzyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11623142
2-(2-Ethylbenzyl)-6-methoxy-tetralone
CID 46945450
Ligujapone
CID 5325815
(4R)-3,4-Dihydro-6-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
CID 5325816

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 10334429) is 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CCc2cc(O[Si](C)(C)C(C)(C)C)ccc2C1=O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AEKQYELAGZENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-12-7-8-13-11-14(9-10-15(13)16(12)18)19-20(5,6)17(2,3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one?
6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 290.48 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10334429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).