ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate

C17H32O2Si — CID 100918359

IUPACethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate
SMILESCCOC(=O)CCCCCCC/C=C\C=C\[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-5-19-17(18)15-13-11-9-7-6-8-10-12-14-16-20(2,3)4/h10,12,14,16H,5-9,11,13,15H2,1-4H3/b12-10-,16-14+
InChIKeyOXZGKTFLKOPYTP-OMGSKEOWSA-N
MW296.53 g/mol
LogP5.27
Rot. Bonds11

About ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate

ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate (PubChem CID 100918359) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate.

Molecular Properties

Compound Nameethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate
PubChem CID100918359
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate
SMILESCCOC(=O)CCCCCCC/C=C\C=C\[Si](C)(C)C
InChIInChI=1S/C17H32O2Si/c1-5-19-17(18)15-13-11-9-7-6-8-10-12-14-16-20(2,3)4/h10,12,14,16H,5-9,11,13,15H2,1-4H3/b12-10-,16-14+
InChIKeyOXZGKTFLKOPYTP-OMGSKEOWSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl octadeca-9,11-dienoate
CID 71333061
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl (5Z,7E)-dodeca-5,7-dienoate
CID 14633807
ethyl octadec-8-enoate
CID 71350628
ethyl octadeca-5,10,12-trienoate
CID 71346061
ethyl (8E,10E)-dodeca-6,8,10-trienoate
CID 135026135
CID 175771564
CID 175771564
ethyl (E)-9-triethylsilylnon-8-enoate
CID 12996061
ethyl (6Z)-nona-6,8-dienoate
CID 11001790
ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
ethyl 18-octadecanoyloxyoctadec-9-enoate
CID 85380657

Frequently Asked Questions

What is the IUPAC name of ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate?
The IUPAC name of ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate (CID 100918359) is ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate.
What is the SMILES notation for ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate?
The canonical SMILES for ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate is CCOC(=O)CCCCCCC/C=C\C=C\[Si](C)(C)C.
What is the InChIKey of ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate?
The InChIKey is OXZGKTFLKOPYTP-OMGSKEOWSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-5-19-17(18)15-13-11-9-7-6-8-10-12-14-16-20(2,3)4/h10,12,14,16H,5-9,11,13,15H2,1-4H3/b12-10-,16-14+.
What are the key properties of ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate?
ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate has a molecular weight of 296.53 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate is sourced from PubChem (CID 100918359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).