[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate

C17H30O2Si — CID 134997827

IUPAC[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C\COC(=O)C(C)(C)C)CCC1=C([Si](C)(C)C)C1
InChIInChI=1S/C17H30O2Si/c1-13(10-11-19-16(18)17(2,3)4)8-9-14-12-15(14)20(5,6)7/h10H,8-9,11-12H2,1-7H3/b13-10+
InChIKeyBKTKLGVMYWAWTP-JLHYYAGUSA-N
MW294.51 g/mol
LogP4.88
Rot. Bonds6

About [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate

[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate (PubChem CID 134997827) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate
PubChem CID134997827
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate
SMILESC/C(=C\COC(=O)C(C)(C)C)CCC1=C([Si](C)(C)C)C1
InChIInChI=1S/C17H30O2Si/c1-13(10-11-19-16(18)17(2,3)4)8-9-14-12-15(14)20(5,6)7/h10H,8-9,11-12H2,1-7H3/b13-10+
InChIKeyBKTKLGVMYWAWTP-JLHYYAGUSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
[(E)-3-methyl-6-oxo-7-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
CID 134997825
[(E)-1-trimethylsilyloct-2-enyl] acetate
CID 135047835
[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
CID 10038804
ethyl (Z)-2-(trimethylsilylmethyl)dec-2-enoate
CID 12100228
[[Tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate
CID 14309684
1-Acetoxy-8-(dimethyl t-butylsilyl)oxy-3,7-dimethyl-2,6-octadiene
CID 53978650
[5-Methyl-2-[methyl(dipropyl)silyl]hexa-2,5-dienyl] acetate
CID 4059483
[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate
CID 10332659
ethyl (2E,13E)-15-[tert-butyl(dimethyl)silyl]oxy-2,14-dimethylpentadeca-2,13-dienoate
CID 11048155
[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] 2,2-dimethylpropanoate
CID 11174747
[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate
CID 11391919

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate (CID 134997827) is [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate is C/C(=C\COC(=O)C(C)(C)C)CCC1=C([Si](C)(C)C)C1.
What is the InChIKey of [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate?
The InChIKey is BKTKLGVMYWAWTP-JLHYYAGUSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-13(10-11-19-16(18)17(2,3)4)8-9-14-12-15(14)20(5,6)7/h10H,8-9,11-12H2,1-7H3/b13-10+.
What are the key properties of [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate?
[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate has a molecular weight of 294.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 134997827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).