methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate

C10H18O4Si — CID 134895730

IUPACmethyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate
SMILESCOC(=O)/C=C(/CC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-8(11)6-9(7-10(12)13-2)14-15(3,4)5/h7H,6H2,1-5H3/b9-7-
InChIKeyINQJCCLIWNRCHQ-CLFYSBASSA-N
MW230.34 g/mol
LogP1.87
Rot. Bonds5

About methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate

methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate (PubChem CID 134895730) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate
PubChem CID134895730
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Namemethyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate
SMILESCOC(=O)/C=C(/CC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-8(11)6-9(7-10(12)13-2)14-15(3,4)5/h7H,6H2,1-5H3/b9-7-
InChIKeyINQJCCLIWNRCHQ-CLFYSBASSA-N
XLogP1.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate?
The IUPAC name of methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate (CID 134895730) is methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate.
What is the SMILES notation for methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate?
The canonical SMILES for methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate is COC(=O)/C=C(/CC(C)=O)O[Si](C)(C)C.
What is the InChIKey of methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate?
The InChIKey is INQJCCLIWNRCHQ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-8(11)6-9(7-10(12)13-2)14-15(3,4)5/h7H,6H2,1-5H3/b9-7-.
What are the key properties of methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate?
methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate has a molecular weight of 230.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-oxo-3-trimethylsilyloxyhex-2-enoate is sourced from PubChem (CID 134895730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).