[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate

C15H30O2Si — CID 10038804

IUPAC[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
SMILESCCCC/C=C(\COC(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-13(18(5,6)7)12-17-14(16)15(2,3)4/h11H,8-10,12H2,1-7H3/b13-11+
InChIKeyWGIHKGPAICCMJD-ACCUITESSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds6

About [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate

[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate (PubChem CID 10038804) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
PubChem CID10038804
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate
SMILESCCCC/C=C(\COC(=O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-10-11-13(18(5,6)7)12-17-14(16)15(2,3)4/h11H,8-10,12H2,1-7H3/b13-11+
InChIKeyWGIHKGPAICCMJD-ACCUITESSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Neryl propionate
CID 5365982
Geranyl propionate
CID 5355853
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate
CID 7782
[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
CID 13442959
CID 13442959
[(2E)-3,7-dimethylocta-2,6-dienyl] 2,2-dimethylpropanoate
CID 14195593
ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
CID 14617533
ethyl (Z)-6-oxo-3-trimethylsilylhept-2-enoate
CID 23642760
CID 85521143
CID 85521143
CID 86153059
CID 86153059
methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
CID 101207969

Frequently Asked Questions

What is the IUPAC name of [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate (CID 10038804) is [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate is CCCC/C=C(\COC(=O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
The InChIKey is WGIHKGPAICCMJD-ACCUITESSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-9-10-11-13(18(5,6)7)12-17-14(16)15(2,3)4/h11H,8-10,12H2,1-7H3/b13-11+.
What are the key properties of [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate?
[(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate has a molecular weight of 270.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-trimethylsilylhept-2-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10038804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).