methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate

C14H26O2Si — CID 11010538

IUPACmethyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
SMILESCOC(=O)/C=C(/CCC=C(C)C)C[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-12(2)8-7-9-13(10-14(15)16-3)11-17(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10-
InChIKeyDTKIKDKKJOEZHB-RAXLEYEMSA-N
MW254.45 g/mol
LogP4.17
Rot. Bonds6

About methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate

methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate (PubChem CID 11010538) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
PubChem CID11010538
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Namemethyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
SMILESCOC(=O)/C=C(/CCC=C(C)C)C[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-12(2)8-7-9-13(10-14(15)16-3)11-17(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10-
InChIKeyDTKIKDKKJOEZHB-RAXLEYEMSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.17
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 methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate?
The IUPAC name of methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate (CID 11010538) is methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate.
What is the SMILES notation for methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate?
The canonical SMILES for methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate is COC(=O)/C=C(/CCC=C(C)C)C[Si](C)(C)C.
What is the InChIKey of methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate?
The InChIKey is DTKIKDKKJOEZHB-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-12(2)8-7-9-13(10-14(15)16-3)11-17(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10-.
What are the key properties of methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate?
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate has a molecular weight of 254.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate is sourced from PubChem (CID 11010538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).