methyl 4-oxo-11-trimethylsilylundec-9-enoate

C15H28O3Si — CID 164681143

IUPACmethyl 4-oxo-11-trimethylsilylundec-9-enoate
SMILESCOC(=O)CCC(=O)CCCCC=CC[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-18-15(17)12-11-14(16)10-8-6-5-7-9-13-19(2,3)4/h7,9H,5-6,8,10-13H2,1-4H3
InChIKeyKFIFVQPIPVAMFE-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.96
Rot. Bonds10

About methyl 4-oxo-11-trimethylsilylundec-9-enoate

methyl 4-oxo-11-trimethylsilylundec-9-enoate (PubChem CID 164681143) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl 4-oxo-11-trimethylsilylundec-9-enoate.

Molecular Properties

Compound Namemethyl 4-oxo-11-trimethylsilylundec-9-enoate
PubChem CID164681143
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl 4-oxo-11-trimethylsilylundec-9-enoate
SMILESCOC(=O)CCC(=O)CCCCC=CC[Si](C)(C)C
InChIInChI=1S/C15H28O3Si/c1-18-15(17)12-11-14(16)10-8-6-5-7-9-13-19(2,3)4/h7,9H,5-6,8,10-13H2,1-4H3
InChIKeyKFIFVQPIPVAMFE-UHFFFAOYSA-N
XLogP3.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-oxooctadeca-9,11,13-trienoate
CID 53680500
formyl 7-oxo-11E-tetradecenoate
CID 56935977
Methyl 4-keto octadeca-9,11,13-trienoate
CID 129643400
9-Octadecenoic acid, 18-(trimethylsiloxy)-, methyl ester
CID 5366421
methyl (Z)-4-oxodec-7-enoate
CID 11095590
Ethyl (7Z)-4-Oxo-7-decanoic Acid Ester
CID 11535838
methyl (E)-11-trimethylsilylundec-10-enoate
CID 13899182
Methyl 4-oxodec-9-enoate
CID 15148069
methyl (E)-20-trimethylsilylicos-17-en-9,11,19-triynoate
CID 135031428
4-Oxo-11-trimethylsilylundec-9-enoic acid
CID 164681144
Methyl 10-hydroxy-8-decenoate, TMS
CID 5352272
9,12-Octadecadienoic acid, 18-(trimethylsiloxy)-, methyl ester
CID 5366405

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-11-trimethylsilylundec-9-enoate?
The IUPAC name of methyl 4-oxo-11-trimethylsilylundec-9-enoate (CID 164681143) is methyl 4-oxo-11-trimethylsilylundec-9-enoate.
What is the SMILES notation for methyl 4-oxo-11-trimethylsilylundec-9-enoate?
The canonical SMILES for methyl 4-oxo-11-trimethylsilylundec-9-enoate is COC(=O)CCC(=O)CCCCC=CC[Si](C)(C)C.
What is the InChIKey of methyl 4-oxo-11-trimethylsilylundec-9-enoate?
The InChIKey is KFIFVQPIPVAMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-18-15(17)12-11-14(16)10-8-6-5-7-9-13-19(2,3)4/h7,9H,5-6,8,10-13H2,1-4H3.
What are the key properties of methyl 4-oxo-11-trimethylsilylundec-9-enoate?
methyl 4-oxo-11-trimethylsilylundec-9-enoate has a molecular weight of 284.47 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-11-trimethylsilylundec-9-enoate is sourced from PubChem (CID 164681143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).