(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one

C13H24OSi — CID 10609217

IUPAC(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one
SMILESC=CC(=O)C(C)(C)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-7-12(14)13(2,3)10-8-9-11-15(4,5)6/h7-9H,1,10-11H2,2-6H3/b9-8+
InChIKeyCRGJZCYXXHYULQ-CMDGGOBGSA-N
MW224.42 g/mol
LogP4.05
Rot. Bonds6

About (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one

(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one (PubChem CID 10609217) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one.

Molecular Properties

Compound Name(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one
PubChem CID10609217
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one
SMILESC=CC(=O)C(C)(C)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-7-12(14)13(2,3)10-8-9-11-15(4,5)6/h7-9H,1,10-11H2,2-6H3/b9-8+
InChIKeyCRGJZCYXXHYULQ-CMDGGOBGSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.05
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one?
The IUPAC name of (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one (CID 10609217) is (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one.
What is the SMILES notation for (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one?
The canonical SMILES for (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one is C=CC(=O)C(C)(C)C/C=C/C[Si](C)(C)C.
What is the InChIKey of (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one?
The InChIKey is CRGJZCYXXHYULQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24OSi/c1-7-12(14)13(2,3)10-8-9-11-15(4,5)6/h7-9H,1,10-11H2,2-6H3/b9-8+.
What are the key properties of (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one?
(6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one has a molecular weight of 224.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4,4-dimethyl-8-trimethylsilylocta-1,6-dien-3-one is sourced from PubChem (CID 10609217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).