methyl (5E,8Z)-tetradeca-5,8-dienoate

C15H26O2 — CID 12813433

IUPACmethyl (5E,8Z)-tetradeca-5,8-dienoate
SMILESCCCCC/C=C\C/C=C/CCCC(=O)OC
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
InChIKeyUZFMPMFXZHNDLT-QEFCTBRHSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About methyl (5E,8Z)-tetradeca-5,8-dienoate

methyl (5E,8Z)-tetradeca-5,8-dienoate (PubChem CID 12813433) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl (5E,8Z)-tetradeca-5,8-dienoate.

Molecular Properties

Compound Namemethyl (5E,8Z)-tetradeca-5,8-dienoate
PubChem CID12813433
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl (5E,8Z)-tetradeca-5,8-dienoate
SMILESCCCCC/C=C\C/C=C/CCCC(=O)OC
InChIInChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+
InChIKeyUZFMPMFXZHNDLT-QEFCTBRHSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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

Icosapent Ethyl
CID 9831415
3-Hexenyl hexanoate, (3Z)-
CID 5352543
cis-5-Dodecenoic acid
CID 5312378
Hexenyl valerate, (3Z)-
CID 5367682
Methyl 9-undecenoate
CID 6435903
5-Octenyl acetate, (5Z)-
CID 5352838
5-Octenyl propionate, (5Z)-
CID 11041412
Ethyl cis-4-heptenoate
CID 15824502
3-Hexenyl hexanoate, (3E)-
CID 5352975
6-Nonenyl acetate, (6Z)-
CID 5363389
Ethyl arachidonate
CID 5367369
4-Decenyl acetate, (4Z)-
CID 5352830

Frequently Asked Questions

What is the IUPAC name of methyl (5E,8Z)-tetradeca-5,8-dienoate?
The IUPAC name of methyl (5E,8Z)-tetradeca-5,8-dienoate (CID 12813433) is methyl (5E,8Z)-tetradeca-5,8-dienoate.
What is the SMILES notation for methyl (5E,8Z)-tetradeca-5,8-dienoate?
The canonical SMILES for methyl (5E,8Z)-tetradeca-5,8-dienoate is CCCCC/C=C\C/C=C/CCCC(=O)OC.
What is the InChIKey of methyl (5E,8Z)-tetradeca-5,8-dienoate?
The InChIKey is UZFMPMFXZHNDLT-QEFCTBRHSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3/b8-7-,11-10+.
What are the key properties of methyl (5E,8Z)-tetradeca-5,8-dienoate?
methyl (5E,8Z)-tetradeca-5,8-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E,8Z)-tetradeca-5,8-dienoate is sourced from PubChem (CID 12813433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).