trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate

C13H24O2Si — CID 91694878

IUPACtrimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate
SMILESCC(C)=CCC/C(C)=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,10H,7,9H2,1-6H3/b12-10+
InChIKeyDJMORKDGMCSRBR-ZRDIBKRKSA-N
MW240.42 g/mol
LogP4.06
Rot. Bonds5

About trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate

trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate (PubChem CID 91694878) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate
PubChem CID91694878
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametrimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate
SMILESCC(C)=CCC/C(C)=C/C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,10H,7,9H2,1-6H3/b12-10+
InChIKeyDJMORKDGMCSRBR-ZRDIBKRKSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.06
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate?
The IUPAC name of trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate (CID 91694878) is trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate.
What is the SMILES notation for trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate?
The canonical SMILES for trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate is CC(C)=CCC/C(C)=C/C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate?
The InChIKey is DJMORKDGMCSRBR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,10H,7,9H2,1-6H3/b12-10+.
What are the key properties of trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate?
trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate has a molecular weight of 240.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2E)-3,7-dimethylocta-2,6-dienoate is sourced from PubChem (CID 91694878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).