(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one

C12H24O2Si — CID 11264675

IUPAC(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one
SMILESCCCCC(=O)/C(=C/COC)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-7-8-11(13)12(9-10-14-2)15(3,4)5/h9H,6-8,10H2,1-5H3/b12-9-
InChIKeyFFRULYJBUOAOGK-XFXZXTDPSA-N
MW228.41 g/mol
LogP3.20
Rot. Bonds7

About (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one

(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one (PubChem CID 11264675) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one.

Molecular Properties

Compound Name(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one
PubChem CID11264675
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one
SMILESCCCCC(=O)/C(=C/COC)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-6-7-8-11(13)12(9-10-14-2)15(3,4)5/h9H,6-8,10H2,1-5H3/b12-9-
InChIKeyFFRULYJBUOAOGK-XFXZXTDPSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-6-oxo-3-trimethylsilylhept-2-enoate
CID 23642760
(Z)-3-ethylselanyl-1-methoxyoct-2-en-4-one
CID 134996537

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one?
The IUPAC name of (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one (CID 11264675) is (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one.
What is the SMILES notation for (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one?
The canonical SMILES for (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one is CCCCC(=O)/C(=C/COC)[Si](C)(C)C.
What is the InChIKey of (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one?
The InChIKey is FFRULYJBUOAOGK-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-7-8-11(13)12(9-10-14-2)15(3,4)5/h9H,6-8,10H2,1-5H3/b12-9-.
What are the key properties of (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one?
(Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one has a molecular weight of 228.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxy-3-trimethylsilyloct-2-en-4-one is sourced from PubChem (CID 11264675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).