methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate

C15H24O3Si — CID 59977335

IUPACmethyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate
SMILESCOC(=O)COC/C=C\C/C=C\CC#C[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-17-15(16)14-18-12-10-8-6-5-7-9-11-13-19(2,3)4/h5,7-8,10H,6,9,12,14H2,1-4H3/b7-5-,10-8-
InChIKeyDGOLYZXGRYHVFY-RRMOSLQNSA-N
MW280.44 g/mol
LogP2.95
Rot. Bonds7

About methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate

methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate (PubChem CID 59977335) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate
PubChem CID59977335
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Namemethyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate
SMILESCOC(=O)COC/C=C\C/C=C\CC#C[Si](C)(C)C
InChIInChI=1S/C15H24O3Si/c1-17-15(16)14-18-12-10-8-6-5-7-9-11-13-19(2,3)4/h5,7-8,10H,6,9,12,14H2,1-4H3/b7-5-,10-8-
InChIKeyDGOLYZXGRYHVFY-RRMOSLQNSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate?
The IUPAC name of methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate (CID 59977335) is methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate.
What is the SMILES notation for methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate?
The canonical SMILES for methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate is COC(=O)COC/C=C\C/C=C\CC#C[Si](C)(C)C.
What is the InChIKey of methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate?
The InChIKey is DGOLYZXGRYHVFY-RRMOSLQNSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-17-15(16)14-18-12-10-8-6-5-7-9-11-13-19(2,3)4/h5,7-8,10H,6,9,12,14H2,1-4H3/b7-5-,10-8-.
What are the key properties of methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate?
methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate has a molecular weight of 280.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2Z,5Z)-9-trimethylsilylnona-2,5-dien-8-ynoxy]acetate is sourced from PubChem (CID 59977335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).