ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate

C17H30O3Si — CID 10913936

IUPACethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate
SMILESCCOC(=O)/C(=C/CCCC/C=C/C(C)=O)C[Si](C)(C)C
InChIInChI=1S/C17H30O3Si/c1-6-20-17(19)16(14-21(3,4)5)13-11-9-7-8-10-12-15(2)18/h10,12-13H,6-9,11,14H2,1-5H3/b12-10+,16-13+
InChIKeyAUTLCAVBXPKHFL-XBKMVRDJSA-N
MW310.51 g/mol
LogP4.52
Rot. Bonds10

About ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate

ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate (PubChem CID 10913936) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate.

Molecular Properties

Compound Nameethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate
PubChem CID10913936
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nameethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate
SMILESCCOC(=O)/C(=C/CCCC/C=C/C(C)=O)C[Si](C)(C)C
InChIInChI=1S/C17H30O3Si/c1-6-20-17(19)16(14-21(3,4)5)13-11-9-7-8-10-12-15(2)18/h10,12-13H,6-9,11,14H2,1-5H3/b12-10+,16-13+
InChIKeyAUTLCAVBXPKHFL-XBKMVRDJSA-N
XLogP4.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.52
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-Octenyl 2-methyl-(E)-2-butenoate
CID 5367738
[(2E)-3,7-dimethyl-4-oxoocta-2,6-dienyl] acetate
CID 15139932
(3,7-Dimethyl-4-oxoocta-2,6-dienyl) acetate
CID 85631836
ethyl (2E,7E)-10-methyl-9-oxoundeca-2,7,10-trienoate
CID 24867777
ethyl (E)-3-methyl-4-oxohept-2-enoate
CID 15717589
methyl (Z)-2-(trimethylsilylmethyl)undec-2-enoate
CID 11323594
CID 13442959
CID 13442959
ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
CID 14617533
ethyl (Z)-6-oxo-3-trimethylsilylhept-2-enoate
CID 23642760
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 46944390

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate?
The IUPAC name of ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate (CID 10913936) is ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate.
What is the SMILES notation for ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate?
The canonical SMILES for ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate is CCOC(=O)/C(=C/CCCC/C=C/C(C)=O)C[Si](C)(C)C.
What is the InChIKey of ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate?
The InChIKey is AUTLCAVBXPKHFL-XBKMVRDJSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-6-20-17(19)16(14-21(3,4)5)13-11-9-7-8-10-12-15(2)18/h10,12-13H,6-9,11,14H2,1-5H3/b12-10+,16-13+.
What are the key properties of ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate?
ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate has a molecular weight of 310.51 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,8E)-10-oxo-2-(trimethylsilylmethyl)undeca-2,8-dienoate is sourced from PubChem (CID 10913936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).