1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione

C15H20O3Si — CID 101181987

IUPAC1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
SMILESC[Si](C)(C)OC12C=CC(CC1)C1C(=O)C=CC(=O)C12
InChIInChI=1S/C15H20O3Si/c1-19(2,3)18-15-8-6-10(7-9-15)13-11(16)4-5-12(17)14(13)15/h4-6,8,10,13-14H,7,9H2,1-3H3
InChIKeyWWHHVUREKGCSEC-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.50
Rot. Bonds2

About 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione

1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione (PubChem CID 101181987) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
PubChem CID101181987
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Name1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
SMILESC[Si](C)(C)OC12C=CC(CC1)C1C(=O)C=CC(=O)C12
InChIInChI=1S/C15H20O3Si/c1-19(2,3)18-15-8-6-10(7-9-15)13-11(16)4-5-12(17)14(13)15/h4-6,8,10,13-14H,7,9H2,1-3H3
InChIKeyWWHHVUREKGCSEC-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Ethanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-1-methoxy-
CID 341704
(1S,8S)-1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 10943931
1-[(1R,2S,4R)-5,8,8-trimethyl-1-trimethylsilyloxy-2-bicyclo[2.2.2]oct-5-enyl]ethanone
CID 10779158
(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one
CID 50992633
(1S,2S,7R,8S)-1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 92271641
(1R,2S,7R,8R)-1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 92271642
(1R,2S,7R,8S)-1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 98545664
(1S,2S,7R,8R)-1-methoxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 98545666
(1R,2S,7R,8R)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 101036139
(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 101036140
2-Trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
CID 101181986
1-[(1S,2R,3S,4R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxy-2-bicyclo[2.2.2]oct-5-enyl]ethanone
CID 101601251

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The IUPAC name of 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione (CID 101181987) is 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.
What is the SMILES notation for 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The canonical SMILES for 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione is C[Si](C)(C)OC12C=CC(CC1)C1C(=O)C=CC(=O)C12.
What is the InChIKey of 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The InChIKey is WWHHVUREKGCSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-19(2,3)18-15-8-6-10(7-9-15)13-11(16)4-5-12(17)14(13)15/h4-6,8,10,13-14H,7,9H2,1-3H3.
What are the key properties of 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione has a molecular weight of 276.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione is sourced from PubChem (CID 101181987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).