methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate

C12H22O3Si — CID 10776581

IUPACmethyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate
SMILESC=C(CC(=O)CCC(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(9-16(3,4)5)8-11(13)6-7-12(14)15-2/h1,6-9H2,2-5H3
InChIKeyDUMCVGFMQGGVHY-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.79
Rot. Bonds7

About methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate

methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate (PubChem CID 10776581) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate.

Molecular Properties

Compound Namemethyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate
PubChem CID10776581
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namemethyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate
SMILESC=C(CC(=O)CCC(=O)OC)C[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(9-16(3,4)5)8-11(13)6-7-12(14)15-2/h1,6-9H2,2-5H3
InChIKeyDUMCVGFMQGGVHY-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-methyl-4-oxohept-6-enoate
CID 15103077
Methyl 11-methylidene-13-triethylsilyltridecanoate
CID 135061991
Methyl 4-oxo-11-trimethylsilylundec-9-enoate
CID 164681143
Methyl 10-methylidene-12-trimethylsilyldodecanoate
CID 176427897
5-[3-(Trimethylsilylmethyl)but-3-enyl]oxolan-2-one
CID 15316014

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate?
The IUPAC name of methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate (CID 10776581) is methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate.
What is the SMILES notation for methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate?
The canonical SMILES for methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate is C=C(CC(=O)CCC(=O)OC)C[Si](C)(C)C.
What is the InChIKey of methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate?
The InChIKey is DUMCVGFMQGGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-10(9-16(3,4)5)8-11(13)6-7-12(14)15-2/h1,6-9H2,2-5H3.
What are the key properties of methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate?
methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate has a molecular weight of 242.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-(trimethylsilylmethyl)hept-6-enoate is sourced from PubChem (CID 10776581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).