methyl (2E,4Z)-hexadeca-2,4-dienoate

C17H30O2 — CID 131751123

IUPACmethyl (2E,4Z)-hexadeca-2,4-dienoate
SMILESCCCCCCCCCCC/C=C\C=C\C(=O)OC
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13-,16-15+
InChIKeyACUIYXOOZPHRRA-DHEZTBRESA-N
MW266.43 g/mol
LogP5.19
Rot. Bonds12

About methyl (2E,4Z)-hexadeca-2,4-dienoate

methyl (2E,4Z)-hexadeca-2,4-dienoate (PubChem CID 131751123) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is methyl (2E,4Z)-hexadeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-hexadeca-2,4-dienoate
PubChem CID131751123
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Namemethyl (2E,4Z)-hexadeca-2,4-dienoate
SMILESCCCCCCCCCCC/C=C\C=C\C(=O)OC
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13-,16-15+
InChIKeyACUIYXOOZPHRRA-DHEZTBRESA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.19
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,4Z)-hexadeca-2,4-dienoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-hexadeca-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-hexadeca-2,4-dienoate (CID 131751123) is methyl (2E,4Z)-hexadeca-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-hexadeca-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-hexadeca-2,4-dienoate is CCCCCCCCCCC/C=C\C=C\C(=O)OC.
What is the InChIKey of methyl (2E,4Z)-hexadeca-2,4-dienoate?
The InChIKey is ACUIYXOOZPHRRA-DHEZTBRESA-N. The full InChI is InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13-,16-15+.
What are the key properties of methyl (2E,4Z)-hexadeca-2,4-dienoate?
methyl (2E,4Z)-hexadeca-2,4-dienoate has a molecular weight of 266.43 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-hexadeca-2,4-dienoate is sourced from PubChem (CID 131751123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).