methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate

C15H20O2 — CID 139599901

IUPACmethyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
SMILESC/C=C/C=C/C=C\CC/C=C/C=C/C(=O)OC
InChIInChI=1S/C15H20O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-8,11-14H,9-10H2,1-2H3/b4-3+,6-5+,8-7-,12-11+,14-13+
InChIKeyRFGACKBRMQVEFR-OSYQQYLUSA-N
MW232.32 g/mol
LogP3.74
Rot. Bonds7

About methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate

methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate (PubChem CID 139599901) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate.

Molecular Properties

Compound Namemethyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
PubChem CID139599901
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
SMILESC/C=C/C=C/C=C\CC/C=C/C=C/C(=O)OC
InChIInChI=1S/C15H20O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-8,11-14H,9-10H2,1-2H3/b4-3+,6-5+,8-7-,12-11+,14-13+
InChIKeyRFGACKBRMQVEFR-OSYQQYLUSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.74
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'}

Analyze methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl deca-2,4,6-trienoate
CID 57131946
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate
CID 177407003
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
cyclopropane;methyl icosa-2,4,6,8,10-pentaenoate
CID 173004856
hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
(2E,4E,8Z,10E,12E)-N-(2-hydroxypropan-2-yl)tetradeca-2,4,8,10,12-pentaenamide
CID 5318129
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate?
The IUPAC name of methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate (CID 139599901) is methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate.
What is the SMILES notation for methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate?
The canonical SMILES for methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate is C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate?
The InChIKey is RFGACKBRMQVEFR-OSYQQYLUSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-8,11-14H,9-10H2,1-2H3/b4-3+,6-5+,8-7-,12-11+,14-13+.
What are the key properties of methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate?
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate has a molecular weight of 232.32 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate is sourced from PubChem (CID 139599901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).