ethyl (2E,8E)-undeca-2,8,10-trienoate

C13H20O2 — CID 15013142

IUPACethyl (2E,8E)-undeca-2,8,10-trienoate
SMILESC=C/C=C/CCCC/C=C/C(=O)OCC
InChIInChI=1S/C13H20O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3,5-6,11-12H,1,4,7-10H2,2H3/b6-5+,12-11+
InChIKeyJYVYFAIBXMQJLB-HDZHTHRUSA-N
MW208.30 g/mol
LogP3.41
Rot. Bonds8

About ethyl (2E,8E)-undeca-2,8,10-trienoate

ethyl (2E,8E)-undeca-2,8,10-trienoate (PubChem CID 15013142) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethyl (2E,8E)-undeca-2,8,10-trienoate.

Molecular Properties

Compound Nameethyl (2E,8E)-undeca-2,8,10-trienoate
PubChem CID15013142
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethyl (2E,8E)-undeca-2,8,10-trienoate
SMILESC=C/C=C/CCCC/C=C/C(=O)OCC
InChIInChI=1S/C13H20O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3,5-6,11-12H,1,4,7-10H2,2H3/b6-5+,12-11+
InChIKeyJYVYFAIBXMQJLB-HDZHTHRUSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl (E)-7-aminohept-2-enoate
CID 55267330
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
ethyl (6Z)-nona-6,8-dienoate
CID 11001790
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
CID 87304480
ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
ethyl (2E,4E,6E,8E,10E)-henicosa-2,4,6,8,10-pentaenoate
CID 74223057
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl (2E,4E,6E,8E,10E)-tetracosa-2,4,6,8,10-pentaenoate
CID 166789450
ethyl 13-methyltetradec-2-enoate
CID 71332881

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,8E)-undeca-2,8,10-trienoate?
The IUPAC name of ethyl (2E,8E)-undeca-2,8,10-trienoate (CID 15013142) is ethyl (2E,8E)-undeca-2,8,10-trienoate.
What is the SMILES notation for ethyl (2E,8E)-undeca-2,8,10-trienoate?
The canonical SMILES for ethyl (2E,8E)-undeca-2,8,10-trienoate is C=C/C=C/CCCC/C=C/C(=O)OCC.
What is the InChIKey of ethyl (2E,8E)-undeca-2,8,10-trienoate?
The InChIKey is JYVYFAIBXMQJLB-HDZHTHRUSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3,5-6,11-12H,1,4,7-10H2,2H3/b6-5+,12-11+.
What are the key properties of ethyl (2E,8E)-undeca-2,8,10-trienoate?
ethyl (2E,8E)-undeca-2,8,10-trienoate has a molecular weight of 208.30 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,8E)-undeca-2,8,10-trienoate is sourced from PubChem (CID 15013142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).