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

C14H22OSi — CID 13128968

IUPAC2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one
SMILESCC1=CCCC12CC(C)=C([Si](C)(C)C)C2=O
InChIInChI=1S/C14H22OSi/c1-10-9-14(8-6-7-11(14)2)13(15)12(10)16(3,4)5/h7H,6,8-9H2,1-5H3
InChIKeyUVNUIVFKBZFGDF-UHFFFAOYSA-N
MW234.41 g/mol
LogP3.88
Rot. Bonds1

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

2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one (PubChem CID 13128968) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one.

Molecular Properties

Compound Name2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one
PubChem CID13128968
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one
SMILESCC1=CCCC12CC(C)=C([Si](C)(C)C)C2=O
InChIInChI=1S/C14H22OSi/c1-10-9-14(8-6-7-11(14)2)13(15)12(10)16(3,4)5/h7H,6,8-9H2,1-5H3
InChIKeyUVNUIVFKBZFGDF-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 53.88
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 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
The IUPAC name of 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one (CID 13128968) is 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one.
What is the SMILES notation for 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
The canonical SMILES for 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one is CC1=CCCC12CC(C)=C([Si](C)(C)C)C2=O.
What is the InChIKey of 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
The InChIKey is UVNUIVFKBZFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-10-9-14(8-6-7-11(14)2)13(15)12(10)16(3,4)5/h7H,6,8-9H2,1-5H3.
What are the key properties of 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one?
2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one has a molecular weight of 234.41 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-3-trimethylsilylspiro[4.4]nona-2,8-dien-4-one is sourced from PubChem (CID 13128968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).