8-diethoxysilyloct-1-en-3-one

C12H24O3Si — CID 175421889

IUPAC8-diethoxysilyloct-1-en-3-one
SMILESC=CC(=O)CCCCC[SiH](OCC)OCC
InChIInChI=1S/C12H24O3Si/c1-4-12(13)10-8-7-9-11-16(14-5-2)15-6-3/h4,16H,1,5-11H2,2-3H3
InChIKeyGWNMJSLYWBBAQH-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.60
Rot. Bonds11

About 8-diethoxysilyloct-1-en-3-one

8-diethoxysilyloct-1-en-3-one (PubChem CID 175421889) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 8-diethoxysilyloct-1-en-3-one.

Molecular Properties

Compound Name8-diethoxysilyloct-1-en-3-one
PubChem CID175421889
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name8-diethoxysilyloct-1-en-3-one
SMILESC=CC(=O)CCCCC[SiH](OCC)OCC
InChIInChI=1S/C12H24O3Si/c1-4-12(13)10-8-7-9-11-16(14-5-2)15-6-3/h4,16H,1,5-11H2,2-3H3
InChIKeyGWNMJSLYWBBAQH-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
3-diethoxysilylpropyl prop-2-enoate
CID 123313393
diethoxy(tetracosyl)silane
CID 151502912
11-oxotridec-12-enoic acid
CID 3032036
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
7-bromoheptyl(diethoxy)silane
CID 174144161
9-trimethylsilylnon-1-en-3-one
CID 172735839
27-(dimethylamino)heptacos-1-en-3-one
CID 139647791
6-(2-oxobut-3-enoxy)hex-1-en-3-one
CID 147998253

Frequently Asked Questions

What is the IUPAC name of 8-diethoxysilyloct-1-en-3-one?
The IUPAC name of 8-diethoxysilyloct-1-en-3-one (CID 175421889) is 8-diethoxysilyloct-1-en-3-one.
What is the SMILES notation for 8-diethoxysilyloct-1-en-3-one?
The canonical SMILES for 8-diethoxysilyloct-1-en-3-one is C=CC(=O)CCCCC[SiH](OCC)OCC.
What is the InChIKey of 8-diethoxysilyloct-1-en-3-one?
The InChIKey is GWNMJSLYWBBAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-4-12(13)10-8-7-9-11-16(14-5-2)15-6-3/h4,16H,1,5-11H2,2-3H3.
What are the key properties of 8-diethoxysilyloct-1-en-3-one?
8-diethoxysilyloct-1-en-3-one has a molecular weight of 244.41 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diethoxysilyloct-1-en-3-one is sourced from PubChem (CID 175421889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).