methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate

C13H22O2Si — CID 134993624

IUPACmethyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate
SMILESCOC(=O)C/C=C/C(C)CC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-12(8-6-10-13(14)15-2)9-7-11-16(3,4)5/h6,8,12H,9-10H2,1-5H3/b8-6+
InChIKeyFPWUHUATMDOUDL-SOFGYWHQSA-N
MW238.40 g/mol
LogP3.01
Rot. Bonds4

About methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate

methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate (PubChem CID 134993624) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate.

Molecular Properties

Compound Namemethyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate
PubChem CID134993624
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Namemethyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate
SMILESCOC(=O)C/C=C/C(C)CC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-12(8-6-10-13(14)15-2)9-7-11-16(3,4)5/h6,8,12H,9-10H2,1-5H3/b8-6+
InChIKeyFPWUHUATMDOUDL-SOFGYWHQSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.01
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate?
The IUPAC name of methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate (CID 134993624) is methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate.
What is the SMILES notation for methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate?
The canonical SMILES for methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate is COC(=O)C/C=C/C(C)CC#C[Si](C)(C)C.
What is the InChIKey of methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate?
The InChIKey is FPWUHUATMDOUDL-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-12(8-6-10-13(14)15-2)9-7-11-16(3,4)5/h6,8,12H,9-10H2,1-5H3/b8-6+.
What are the key properties of methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate?
methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate has a molecular weight of 238.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-methyl-8-trimethylsilyloct-3-en-7-ynoate is sourced from PubChem (CID 134993624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).