9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one

C13H20OSi — CID 13128966

IUPAC9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one
SMILESCC1=CCCC12CC=C([Si](C)(C)C)C2=O
InChIInChI=1S/C13H20OSi/c1-10-6-5-8-13(10)9-7-11(12(13)14)15(2,3)4/h6-7H,5,8-9H2,1-4H3
InChIKeyUBZUGPCDKCIGTF-UHFFFAOYSA-N
MW220.39 g/mol
LogP3.49
Rot. Bonds1

About 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one

9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one (PubChem CID 13128966) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one.

Molecular Properties

Compound Name9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one
PubChem CID13128966
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one
SMILESCC1=CCCC12CC=C([Si](C)(C)C)C2=O
InChIInChI=1S/C13H20OSi/c1-10-6-5-8-13(10)9-7-11(12(13)14)15(2,3)4/h6-7H,5,8-9H2,1-4H3
InChIKeyUBZUGPCDKCIGTF-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
The IUPAC name of 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one (CID 13128966) is 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one.
What is the SMILES notation for 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
The canonical SMILES for 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one is CC1=CCCC12CC=C([Si](C)(C)C)C2=O.
What is the InChIKey of 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
The InChIKey is UBZUGPCDKCIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-10-6-5-8-13(10)9-7-11(12(13)14)15(2,3)4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one has a molecular weight of 220.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one is sourced from PubChem (CID 13128966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).