methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate

C14H24O2Si — CID 88784591

IUPACmethyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
SMILESCOC(=O)CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-13(10-11-14(15)16-2)9-7-6-8-12-17(3,4)5/h9H,6-7,10-11H2,1-5H3/b13-9+
InChIKeyNZWRAQXCYIJRPU-UKTHLTGXSA-N
MW252.43 g/mol
LogP3.55
Rot. Bonds5

About methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate

methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate (PubChem CID 88784591) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate.

Molecular Properties

Compound Namemethyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
PubChem CID88784591
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Namemethyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate
SMILESCOC(=O)CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C14H24O2Si/c1-13(10-11-14(15)16-2)9-7-6-8-12-17(3,4)5/h9H,6-7,10-11H2,1-5H3/b13-9+
InChIKeyNZWRAQXCYIJRPU-UKTHLTGXSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.55
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'}, {'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 (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate?
The IUPAC name of methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate (CID 88784591) is methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate.
What is the SMILES notation for methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate?
The canonical SMILES for methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate is COC(=O)CC/C(C)=C/CCC#C[Si](C)(C)C.
What is the InChIKey of methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate?
The InChIKey is NZWRAQXCYIJRPU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-13(10-11-14(15)16-2)9-7-6-8-12-17(3,4)5/h9H,6-7,10-11H2,1-5H3/b13-9+.
What are the key properties of methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate?
methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate has a molecular weight of 252.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-methyl-9-trimethylsilylnon-4-en-8-ynoate is sourced from PubChem (CID 88784591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).