5-triethylsilyloxyhepta-4,6-dien-2-one

C13H24O2Si — CID 71386610

IUPAC5-triethylsilyloxyhepta-4,6-dien-2-one
SMILESC=CC(=CCC(C)=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H24O2Si/c1-6-13(11-10-12(5)14)15-16(7-2,8-3)9-4/h6,11H,1,7-10H2,2-5H3
InChIKeyZOXNKKHYRYSFMR-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.06
Rot. Bonds8

About 5-triethylsilyloxyhepta-4,6-dien-2-one

5-triethylsilyloxyhepta-4,6-dien-2-one (PubChem CID 71386610) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 5-triethylsilyloxyhepta-4,6-dien-2-one.

Molecular Properties

Compound Name5-triethylsilyloxyhepta-4,6-dien-2-one
PubChem CID71386610
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name5-triethylsilyloxyhepta-4,6-dien-2-one
SMILESC=CC(=CCC(C)=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H24O2Si/c1-6-13(11-10-12(5)14)15-16(7-2,8-3)9-4/h6,11H,1,7-10H2,2-5H3
InChIKeyZOXNKKHYRYSFMR-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

triethylsilyl but-3-enoate
CID 158687975
dihydroxy(oxo)silane;pent-4-en-2-one
CID 88814278
(3S,5Z)-3-triethylsilyloxy-6-(trifluoromethyl)octa-5,7-dien-2-one
CID 140537693
(213C)pent-4-en-2-one
CID 173180315
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
(Z)-5-methoxyhex-4-en-2-one
CID 87291047
[(3E,5E)-6-acetyloxyocta-1,3,5,7-tetraen-3-yl] acetate
CID 145204463
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
CID 174733111
calcium;hydride;pent-4-en-2-one
CID 174750875
3-[(3E)-6-methylhepta-1,3,5-trien-3-yl]oxypropanamide
CID 143073997
ethyl-methoxy-dimethylsilane;prop-2-enamide
CID 162234647

Frequently Asked Questions

What is the IUPAC name of 5-triethylsilyloxyhepta-4,6-dien-2-one?
The IUPAC name of 5-triethylsilyloxyhepta-4,6-dien-2-one (CID 71386610) is 5-triethylsilyloxyhepta-4,6-dien-2-one.
What is the SMILES notation for 5-triethylsilyloxyhepta-4,6-dien-2-one?
The canonical SMILES for 5-triethylsilyloxyhepta-4,6-dien-2-one is C=CC(=CCC(C)=O)O[Si](CC)(CC)CC.
What is the InChIKey of 5-triethylsilyloxyhepta-4,6-dien-2-one?
The InChIKey is ZOXNKKHYRYSFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-6-13(11-10-12(5)14)15-16(7-2,8-3)9-4/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 5-triethylsilyloxyhepta-4,6-dien-2-one?
5-triethylsilyloxyhepta-4,6-dien-2-one has a molecular weight of 240.42 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethylsilyloxyhepta-4,6-dien-2-one is sourced from PubChem (CID 71386610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).