9-trimethylsilylnon-1-en-3-one

C12H24OSi — CID 172735839

IUPAC9-trimethylsilylnon-1-en-3-one
SMILESC=CC(=O)CCCCCC[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-12(13)10-8-6-7-9-11-14(2,3)4/h5H,1,6-11H2,2-4H3
InChIKeyIKQFXYNAJXOQBX-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.03
Rot. Bonds8

About 9-trimethylsilylnon-1-en-3-one

9-trimethylsilylnon-1-en-3-one (PubChem CID 172735839) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 9-trimethylsilylnon-1-en-3-one.

Molecular Properties

Compound Name9-trimethylsilylnon-1-en-3-one
PubChem CID172735839
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name9-trimethylsilylnon-1-en-3-one
SMILESC=CC(=O)CCCCCC[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-12(13)10-8-6-7-9-11-14(2,3)4/h5H,1,6-11H2,2-4H3
InChIKeyIKQFXYNAJXOQBX-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
27-(dimethylamino)heptacos-1-en-3-one
CID 139647791
11-oxotridec-12-enoic acid
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undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
2-methyl-N-(6-oxooct-7-enyl)propanamide
CID 58298973
N-ethyl-4-oxohex-5-enamide
CID 147279818
sodium 5-trimethylsilylpentanoate
CID 157288154
S-(5-oxohept-6-enyl) ethanethioate
CID 139751819
1,3-bis(4-oxohex-5-enyl)urea
CID 162231013
2,2-dimethyl-7-trimethylsilylheptan-3-one
CID 23525952

Frequently Asked Questions

What is the IUPAC name of 9-trimethylsilylnon-1-en-3-one?
The IUPAC name of 9-trimethylsilylnon-1-en-3-one (CID 172735839) is 9-trimethylsilylnon-1-en-3-one.
What is the SMILES notation for 9-trimethylsilylnon-1-en-3-one?
The canonical SMILES for 9-trimethylsilylnon-1-en-3-one is C=CC(=O)CCCCCC[Si](C)(C)C.
What is the InChIKey of 9-trimethylsilylnon-1-en-3-one?
The InChIKey is IKQFXYNAJXOQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-12(13)10-8-6-7-9-11-14(2,3)4/h5H,1,6-11H2,2-4H3.
What are the key properties of 9-trimethylsilylnon-1-en-3-one?
9-trimethylsilylnon-1-en-3-one has a molecular weight of 212.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trimethylsilylnon-1-en-3-one is sourced from PubChem (CID 172735839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).