[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate

C16H30O3Si — CID 134997825

IUPAC[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C\COC(=O)C(C)(C)C)CCC(=O)C[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(8-9-14(17)12-20(5,6)7)10-11-19-15(18)16(2,3)4/h10H,8-9,11-12H2,1-7H3/b13-10+
InChIKeyGNUIIDBRJHQNQZ-JLHYYAGUSA-N
MW298.50 g/mol
LogP4.21
Rot. Bonds7

About [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate

[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate (PubChem CID 134997825) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
PubChem CID134997825
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C\COC(=O)C(C)(C)C)CCC(=O)C[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(8-9-14(17)12-20(5,6)7)10-11-19-15(18)16(2,3)4/h10H,8-9,11-12H2,1-7H3/b13-10+
InChIKeyGNUIIDBRJHQNQZ-JLHYYAGUSA-N
XLogP4.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-6-oxo-3-trimethylsilylhept-2-enoate
CID 23642760
[(E)-8-oxo-2-(trimethylsilylmethyl)oct-2-enyl] acetate
CID 102526104
[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate
CID 134997827
(3,7-Dimethyl-11-oxododeca-2,6-dienyl) acetate
CID 163021182
[(2E,6E)-3,7-dimethyl-11-oxododeca-2,6-dienyl] acetate
CID 171119607
[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
CID 10038804
3,7-Dimethylocta-2,6-dienyl 5-[dimethyl(trimethylsilyloxy)silyl]pentanoate
CID 53673306
[(2E)-3,7-dimethylocta-2,6-dienyl] 5-[dimethyl(trimethylsilyloxy)silyl]pentanoate
CID 88228723
[5-Methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate
CID 4059483
[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate
CID 10332659
ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate
CID 10913936
[(2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienyl] acetate
CID 11818042

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate (CID 134997825) is [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate is C/C(=C\COC(=O)C(C)(C)C)CCC(=O)C[Si](C)(C)C.
What is the InChIKey of [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
The InChIKey is GNUIIDBRJHQNQZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(8-9-14(17)12-20(5,6)7)10-11-19-15(18)16(2,3)4/h10H,8-9,11-12H2,1-7H3/b13-10+.
What are the key properties of [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate has a molecular weight of 298.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134997825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).