methyl (2E)-tetradeca-2,4,5-trienoate

C15H24O2 — CID 10928050

IUPACmethyl (2E)-tetradeca-2,4,5-trienoate
SMILESCCCCCCCCC=C=C/C=C/C(=O)OC
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h10,12-14H,3-9H2,1-2H3/b14-13+
InChIKeyJHJVZZKILRZRKO-BUHFOSPRSA-N
MW236.36 g/mol
LogP4.18
Rot. Bonds9

About methyl (2E)-tetradeca-2,4,5-trienoate

methyl (2E)-tetradeca-2,4,5-trienoate (PubChem CID 10928050) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is methyl (2E)-tetradeca-2,4,5-trienoate.

Molecular Properties

Compound Namemethyl (2E)-tetradeca-2,4,5-trienoate
PubChem CID10928050
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Namemethyl (2E)-tetradeca-2,4,5-trienoate
SMILESCCCCCCCCC=C=C/C=C/C(=O)OC
InChIInChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h10,12-14H,3-9H2,1-2H3/b14-13+
InChIKeyJHJVZZKILRZRKO-BUHFOSPRSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-tetradeca-2,4,5-trienoate?
The IUPAC name of methyl (2E)-tetradeca-2,4,5-trienoate (CID 10928050) is methyl (2E)-tetradeca-2,4,5-trienoate.
What is the SMILES notation for methyl (2E)-tetradeca-2,4,5-trienoate?
The canonical SMILES for methyl (2E)-tetradeca-2,4,5-trienoate is CCCCCCCCC=C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E)-tetradeca-2,4,5-trienoate?
The InChIKey is JHJVZZKILRZRKO-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h10,12-14H,3-9H2,1-2H3/b14-13+.
What are the key properties of methyl (2E)-tetradeca-2,4,5-trienoate?
methyl (2E)-tetradeca-2,4,5-trienoate has a molecular weight of 236.36 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-tetradeca-2,4,5-trienoate is sourced from PubChem (CID 10928050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).