methyl (5E,8E)-undeca-5,8-dienoate

C12H20O2 — CID 102118348

IUPACmethyl (5E,8E)-undeca-5,8-dienoate
SMILESCC/C=C/C/C=C/CCCC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h4-5,7-8H,3,6,9-11H2,1-2H3/b5-4+,8-7+
InChIKeyVJSUKCRGUYQYCE-AOSYACOCSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds7

About methyl (5E,8E)-undeca-5,8-dienoate

methyl (5E,8E)-undeca-5,8-dienoate (PubChem CID 102118348) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl (5E,8E)-undeca-5,8-dienoate.

Molecular Properties

Compound Namemethyl (5E,8E)-undeca-5,8-dienoate
PubChem CID102118348
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl (5E,8E)-undeca-5,8-dienoate
SMILESCC/C=C/C/C=C/CCCC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h4-5,7-8H,3,6,9-11H2,1-2H3/b5-4+,8-7+
InChIKeyVJSUKCRGUYQYCE-AOSYACOCSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl dodeca-6,9-dienoate
CID 123311078
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl (4E,7E)-deca-4,7-dienoate
CID 102118317
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
methyl (Z)-octadec-15-enoate
CID 12963319
methyl 11-methylicosa-5,8,11,14,17-pentaenoate
CID 123385546
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422
methyl (5Z,8E)-9-iodonona-5,8-dienoate
CID 14464864

Frequently Asked Questions

What is the IUPAC name of methyl (5E,8E)-undeca-5,8-dienoate?
The IUPAC name of methyl (5E,8E)-undeca-5,8-dienoate (CID 102118348) is methyl (5E,8E)-undeca-5,8-dienoate.
What is the SMILES notation for methyl (5E,8E)-undeca-5,8-dienoate?
The canonical SMILES for methyl (5E,8E)-undeca-5,8-dienoate is CC/C=C/C/C=C/CCCC(=O)OC.
What is the InChIKey of methyl (5E,8E)-undeca-5,8-dienoate?
The InChIKey is VJSUKCRGUYQYCE-AOSYACOCSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h4-5,7-8H,3,6,9-11H2,1-2H3/b5-4+,8-7+.
What are the key properties of methyl (5E,8E)-undeca-5,8-dienoate?
methyl (5E,8E)-undeca-5,8-dienoate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E,8E)-undeca-5,8-dienoate is sourced from PubChem (CID 102118348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).