(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one

C13H24OSi — CID 53362296

IUPAC(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one
SMILESCC(=O)/C=C/C(=C\C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(14)8-9-12(15(5,6)7)10-13(2,3)4/h8-10H,1-7H3/b9-8+,12-10+
InChIKeyAAIYXLWDYOASBF-CDKJVOIVSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds3

About (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one

(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one (PubChem CID 53362296) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one
PubChem CID53362296
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one
SMILESCC(=O)/C=C/C(=C\C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-11(14)8-9-12(15(5,6)7)10-13(2,3)4/h8-10H,1-7H3/b9-8+,12-10+
InChIKeyAAIYXLWDYOASBF-CDKJVOIVSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one?
The IUPAC name of (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one (CID 53362296) is (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one is CC(=O)/C=C/C(=C\C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one?
The InChIKey is AAIYXLWDYOASBF-CDKJVOIVSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11(14)8-9-12(15(5,6)7)10-13(2,3)4/h8-10H,1-7H3/b9-8+,12-10+.
What are the key properties of (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one?
(3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one has a molecular weight of 224.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7,7-dimethyl-5-trimethylsilylocta-3,5-dien-2-one is sourced from PubChem (CID 53362296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).