8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one

C17H28O2Si — CID 20541496

IUPAC8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one
SMILESCC1(C)C2C=CC3(C)C(C2)C(=O)CCC13O[Si](C)(C)C
InChIInChI=1S/C17H28O2Si/c1-15(2)12-7-9-16(3)13(11-12)14(18)8-10-17(15,16)19-20(4,5)6/h7,9,12-13H,8,10-11H2,1-6H3
InChIKeyAGWBDHOAXATHIS-UHFFFAOYSA-N
MW292.50 g/mol
LogP4.18
Rot. Bonds2

About 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one

8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one (PubChem CID 20541496) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one.

Molecular Properties

Compound Name8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one
PubChem CID20541496
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one
SMILESCC1(C)C2C=CC3(C)C(C2)C(=O)CCC13O[Si](C)(C)C
InChIInChI=1S/C17H28O2Si/c1-15(2)12-7-9-16(3)13(11-12)14(18)8-10-17(15,16)19-20(4,5)6/h7,9,12-13H,8,10-11H2,1-6H3
InChIKeyAGWBDHOAXATHIS-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one?
The IUPAC name of 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one (CID 20541496) is 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one.
What is the SMILES notation for 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one?
The canonical SMILES for 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one is CC1(C)C2C=CC3(C)C(C2)C(=O)CCC13O[Si](C)(C)C.
What is the InChIKey of 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one?
The InChIKey is AGWBDHOAXATHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-15(2)12-7-9-16(3)13(11-12)14(18)8-10-17(15,16)19-20(4,5)6/h7,9,12-13H,8,10-11H2,1-6H3.
What are the key properties of 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one?
8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one has a molecular weight of 292.50 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,11-trimethyl-7-trimethylsilyloxytricyclo[5.3.1.03,8]undec-9-en-4-one is sourced from PubChem (CID 20541496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).