methyl 13-trimethylsilyltridec-9-en-12-ynoate

C17H30O2Si — CID 71357815

IUPACmethyl 13-trimethylsilyltridec-9-en-12-ynoate
SMILESCOC(=O)CCCCCCCC=CCC#C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-19-17(18)15-13-11-9-7-5-6-8-10-12-14-16-20(2,3)4/h8,10H,5-7,9,11-13,15H2,1-4H3
InChIKeyYSIIUGYFWKLCFY-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.72
Rot. Bonds9

About methyl 13-trimethylsilyltridec-9-en-12-ynoate

methyl 13-trimethylsilyltridec-9-en-12-ynoate (PubChem CID 71357815) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is methyl 13-trimethylsilyltridec-9-en-12-ynoate.

Molecular Properties

Compound Namemethyl 13-trimethylsilyltridec-9-en-12-ynoate
PubChem CID71357815
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Namemethyl 13-trimethylsilyltridec-9-en-12-ynoate
SMILESCOC(=O)CCCCCCCC=CCC#C[Si](C)(C)C
InChIInChI=1S/C17H30O2Si/c1-19-17(18)15-13-11-9-7-5-6-8-10-12-14-16-20(2,3)4/h8,10H,5-7,9,11-13,15H2,1-4H3
InChIKeyYSIIUGYFWKLCFY-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.72
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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Related Compounds

methyl (Z)-13-iodotridec-9-en-12-ynoate
CID 175669028
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (E)-11-iodoundec-10-enoate
CID 12653836
methyl (E)-19-iodononadec-18-enoate
CID 13463205
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl (E)-hexadec-11-enoate
CID 5364696
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440

Frequently Asked Questions

What is the IUPAC name of methyl 13-trimethylsilyltridec-9-en-12-ynoate?
The IUPAC name of methyl 13-trimethylsilyltridec-9-en-12-ynoate (CID 71357815) is methyl 13-trimethylsilyltridec-9-en-12-ynoate.
What is the SMILES notation for methyl 13-trimethylsilyltridec-9-en-12-ynoate?
The canonical SMILES for methyl 13-trimethylsilyltridec-9-en-12-ynoate is COC(=O)CCCCCCCC=CCC#C[Si](C)(C)C.
What is the InChIKey of methyl 13-trimethylsilyltridec-9-en-12-ynoate?
The InChIKey is YSIIUGYFWKLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-19-17(18)15-13-11-9-7-5-6-8-10-12-14-16-20(2,3)4/h8,10H,5-7,9,11-13,15H2,1-4H3.
What are the key properties of methyl 13-trimethylsilyltridec-9-en-12-ynoate?
methyl 13-trimethylsilyltridec-9-en-12-ynoate has a molecular weight of 294.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 13-trimethylsilyltridec-9-en-12-ynoate is sourced from PubChem (CID 71357815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).