methyl (E)-7-trimethylsilylhept-5-en-2-ynoate

C11H18O2Si — CID 135041633

IUPACmethyl (E)-7-trimethylsilylhept-5-en-2-ynoate
SMILESCOC(=O)C#CC/C=C/C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-13-11(12)9-7-5-6-8-10-14(2,3)4/h6,8H,5,10H2,1-4H3/b8-6+
InChIKeyCVZASXUQYNMBSR-SOFGYWHQSA-N
MW210.35 g/mol
LogP2.45
Rot. Bonds3

About methyl (E)-7-trimethylsilylhept-5-en-2-ynoate

methyl (E)-7-trimethylsilylhept-5-en-2-ynoate (PubChem CID 135041633) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl (E)-7-trimethylsilylhept-5-en-2-ynoate.

Molecular Properties

Compound Namemethyl (E)-7-trimethylsilylhept-5-en-2-ynoate
PubChem CID135041633
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl (E)-7-trimethylsilylhept-5-en-2-ynoate
SMILESCOC(=O)C#CC/C=C/C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-13-11(12)9-7-5-6-8-10-14(2,3)4/h6,8H,5,10H2,1-4H3/b8-6+
InChIKeyCVZASXUQYNMBSR-SOFGYWHQSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.45
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_5', '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)-7-trimethylsilylhept-5-en-2-ynoate?
The IUPAC name of methyl (E)-7-trimethylsilylhept-5-en-2-ynoate (CID 135041633) is methyl (E)-7-trimethylsilylhept-5-en-2-ynoate.
What is the SMILES notation for methyl (E)-7-trimethylsilylhept-5-en-2-ynoate?
The canonical SMILES for methyl (E)-7-trimethylsilylhept-5-en-2-ynoate is COC(=O)C#CC/C=C/C[Si](C)(C)C.
What is the InChIKey of methyl (E)-7-trimethylsilylhept-5-en-2-ynoate?
The InChIKey is CVZASXUQYNMBSR-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-13-11(12)9-7-5-6-8-10-14(2,3)4/h6,8H,5,10H2,1-4H3/b8-6+.
What are the key properties of methyl (E)-7-trimethylsilylhept-5-en-2-ynoate?
methyl (E)-7-trimethylsilylhept-5-en-2-ynoate has a molecular weight of 210.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-trimethylsilylhept-5-en-2-ynoate is sourced from PubChem (CID 135041633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).