methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate

C11H20O3Si — CID 134888459

IUPACmethyl (E)-5-oxo-7-trimethylsilylhept-6-enoate
SMILESCOC(=O)CCCC(=O)/C=C/[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+
InChIKeyLFNMSXWYDIUBCL-CMDGGOBGSA-N
MW228.36 g/mol
LogP2.33
Rot. Bonds6

About methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate

methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate (PubChem CID 134888459) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate.

Molecular Properties

Compound Namemethyl (E)-5-oxo-7-trimethylsilylhept-6-enoate
PubChem CID134888459
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namemethyl (E)-5-oxo-7-trimethylsilylhept-6-enoate
SMILESCOC(=O)CCCC(=O)/C=C/[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+
InChIKeyLFNMSXWYDIUBCL-CMDGGOBGSA-N
XLogP2.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate?
The IUPAC name of methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate (CID 134888459) is methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate.
What is the SMILES notation for methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate?
The canonical SMILES for methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate is COC(=O)CCCC(=O)/C=C/[Si](C)(C)C.
What is the InChIKey of methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate?
The InChIKey is LFNMSXWYDIUBCL-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-14-11(13)7-5-6-10(12)8-9-15(2,3)4/h8-9H,5-7H2,1-4H3/b9-8+.
What are the key properties of methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate?
methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate has a molecular weight of 228.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-oxo-7-trimethylsilylhept-6-enoate is sourced from PubChem (CID 134888459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).