trimethylsilyl (E)-8-oxooct-4-enoate

C11H20O3Si — CID 23261458

IUPACtrimethylsilyl (E)-8-oxooct-4-enoate
SMILESC[Si](C)(C)OC(=O)CC/C=C/CCC=O
InChIInChI=1S/C11H20O3Si/c1-15(2,3)14-11(13)9-7-5-4-6-8-10-12/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyBQOZZUNEPOAFJC-SNAWJCMRSA-N
MW228.36 g/mol
LogP2.68
Rot. Bonds7

About trimethylsilyl (E)-8-oxooct-4-enoate

trimethylsilyl (E)-8-oxooct-4-enoate (PubChem CID 23261458) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is trimethylsilyl (E)-8-oxooct-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-8-oxooct-4-enoate
PubChem CID23261458
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Nametrimethylsilyl (E)-8-oxooct-4-enoate
SMILESC[Si](C)(C)OC(=O)CC/C=C/CCC=O
InChIInChI=1S/C11H20O3Si/c1-15(2,3)14-11(13)9-7-5-4-6-8-10-12/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyBQOZZUNEPOAFJC-SNAWJCMRSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
(E)-oct-4-enedial
CID 5283333
dimethyl (E)-oct-4-enedioate
CID 15585051
trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 5366427
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
methyl (Z)-oct-4-enoate
CID 5352774
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-2-enedioate
CID 6421159
trimethylsilyl icosanoate
CID 521648
trimethylsilyl 3-trimethylsilylsulfanylpropanoate
CID 637748
trimethylsilyl 2-fluoroacetate
CID 123819311
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-8-oxooct-4-enoate?
The IUPAC name of trimethylsilyl (E)-8-oxooct-4-enoate (CID 23261458) is trimethylsilyl (E)-8-oxooct-4-enoate.
What is the SMILES notation for trimethylsilyl (E)-8-oxooct-4-enoate?
The canonical SMILES for trimethylsilyl (E)-8-oxooct-4-enoate is C[Si](C)(C)OC(=O)CC/C=C/CCC=O.
What is the InChIKey of trimethylsilyl (E)-8-oxooct-4-enoate?
The InChIKey is BQOZZUNEPOAFJC-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-15(2,3)14-11(13)9-7-5-4-6-8-10-12/h4-5,10H,6-9H2,1-3H3/b5-4+.
What are the key properties of trimethylsilyl (E)-8-oxooct-4-enoate?
trimethylsilyl (E)-8-oxooct-4-enoate has a molecular weight of 228.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-8-oxooct-4-enoate is sourced from PubChem (CID 23261458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).