[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate

C14H26O3Si — CID 102526104

IUPAC[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate
SMILESCC(=O)OC/C(=C\CCCCC=O)C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-13(16)17-11-14(12-18(2,3)4)9-7-5-6-8-10-15/h9-10H,5-8,11-12H2,1-4H3/b14-9+
InChIKeyPJGZHVNFAQQERF-NTEUORMPSA-N
MW270.44 g/mol
LogP3.57
Rot. Bonds9

About [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate

[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate (PubChem CID 102526104) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate
PubChem CID102526104
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate
SMILESCC(=O)OC/C(=C\CCCCC=O)C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-13(16)17-11-14(12-18(2,3)4)9-7-5-6-8-10-15/h9-10H,5-8,11-12H2,1-4H3/b14-9+
InChIKeyPJGZHVNFAQQERF-NTEUORMPSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.57
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

Acetic acid, 3-methyl-6-oxo-hex-2-enyl ester
CID 5363568
[(2E,6E)-3,7-dimethyl-10-oxodeca-2,6-dienyl] acetate
CID 11413731
[(E)-8-oxooct-2-enyl] acetate
CID 44521597
[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
CID 134997825
[(E)-3-methyl-6-oxohex-2-enyl] 2,2-dimethylpropanoate
CID 135086031
[(Z)-3-methyl-6-oxohex-2-enyl] acetate
CID 5773766
[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
CID 10038804
ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate
CID 10085303
ethyl (Z)-12-oxo-2-(trimethylsilylmethyl)dodec-2-enoate
CID 10087793
ethyl (Z)-16-oxo-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 10407582
ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate
CID 11097618
ethyl (Z)-7-oxo-2-(trimethylsilylmethyl)hept-2-enoate
CID 13773631

Frequently Asked Questions

What is the IUPAC name of [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
The IUPAC name of [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate (CID 102526104) is [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate.
What is the SMILES notation for [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
The canonical SMILES for [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate is CC(=O)OC/C(=C\CCCCC=O)C[Si](C)(C)C.
What is the InChIKey of [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
The InChIKey is PJGZHVNFAQQERF-NTEUORMPSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(16)17-11-14(12-18(2,3)4)9-7-5-6-8-10-15/h9-10H,5-8,11-12H2,1-4H3/b14-9+.
What are the key properties of [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate has a molecular weight of 270.44 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate is sourced from PubChem (CID 102526104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).