(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione

C15H20O3Si — CID 101036140

IUPAC(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
SMILESC[Si](C)(C)OC1=C[C@@H]2CC[C@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12
InChIInChI=1S/C15H20O3Si/c1-19(2,3)18-13-8-9-4-5-10(13)15-12(17)7-6-11(16)14(9)15/h6-10,14-15H,4-5H2,1-3H3/t9-,10+,14-,15+/m0/s1
InChIKeyDEUWOFYGDMXCSA-WVGQAWGZSA-N
MW276.41 g/mol
LogP2.70
Rot. Bonds2

About (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione

(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione (PubChem CID 101036140) has the molecular formula C15H20O3Si and a molecular weight of 276.41 g/mol. Its IUPAC name is (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.

Molecular Properties

Compound Name(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
PubChem CID101036140
Molecular FormulaC15H20O3Si
Molecular Weight276.41 g/mol
Exact Mass276.12
IUPAC Name(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione
SMILESC[Si](C)(C)OC1=C[C@@H]2CC[C@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12
InChIInChI=1S/C15H20O3Si/c1-19(2,3)18-13-8-9-4-5-10(13)15-12(17)7-6-11(16)14(9)15/h6-10,14-15H,4-5H2,1-3H3/t9-,10+,14-,15+/m0/s1
InChIKeyDEUWOFYGDMXCSA-WVGQAWGZSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The IUPAC name of (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione (CID 101036140) is (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione.
What is the SMILES notation for (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The canonical SMILES for (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione is C[Si](C)(C)OC1=C[C@@H]2CC[C@H]1[C@@H]1C(=O)C=CC(=O)[C@@H]12.
What is the InChIKey of (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
The InChIKey is DEUWOFYGDMXCSA-WVGQAWGZSA-N. The full InChI is InChI=1S/C15H20O3Si/c1-19(2,3)18-13-8-9-4-5-10(13)15-12(17)7-6-11(16)14(9)15/h6-10,14-15H,4-5H2,1-3H3/t9-,10+,14-,15+/m0/s1.
What are the key properties of (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione?
(1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione has a molecular weight of 276.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8S)-9-trimethylsilyloxytricyclo[6.2.2.02,7]dodeca-4,9-diene-3,6-dione is sourced from PubChem (CID 101036140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).