methyl hexadeca-5,10-dienoate

C17H30O2 — CID 163047560

IUPACmethyl hexadeca-5,10-dienoate
SMILESCCCCCC=CCCCC=CCCCC(=O)OC
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h7-8,12-13H,3-6,9-11,14-16H2,1-2H3
InChIKeyCVOJWAOWCBCTLL-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.19
Rot. Bonds12

About methyl hexadeca-5,10-dienoate

methyl hexadeca-5,10-dienoate (PubChem CID 163047560) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is methyl hexadeca-5,10-dienoate.

Molecular Properties

Compound Namemethyl hexadeca-5,10-dienoate
PubChem CID163047560
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Namemethyl hexadeca-5,10-dienoate
SMILESCCCCCC=CCCCC=CCCCC(=O)OC
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h7-8,12-13H,3-6,9-11,14-16H2,1-2H3
InChIKeyCVOJWAOWCBCTLL-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Arachidonic Acid
CID 444899
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Methyl Oleate
CID 5364509
Methyl linoleate
CID 5284421
Stearidonic Acid
CID 5312508
Icosapent Ethyl
CID 9831415
3-Hexenyl hexanoate, (3Z)-
CID 5352543
Eicosapentaenoic Acid
CID 5282847
Hexenyl valerate, (3Z)-
CID 5367682
Icosa-5,8,11,14-tetraenoic acid
CID 5312542
Methyl Linolenate
CID 5319706

Frequently Asked Questions

What is the IUPAC name of methyl hexadeca-5,10-dienoate?
The IUPAC name of methyl hexadeca-5,10-dienoate (CID 163047560) is methyl hexadeca-5,10-dienoate.
What is the SMILES notation for methyl hexadeca-5,10-dienoate?
The canonical SMILES for methyl hexadeca-5,10-dienoate is CCCCCC=CCCCC=CCCCC(=O)OC.
What is the InChIKey of methyl hexadeca-5,10-dienoate?
The InChIKey is CVOJWAOWCBCTLL-UHFFFAOYSA-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/h7-8,12-13H,3-6,9-11,14-16H2,1-2H3.
What are the key properties of methyl hexadeca-5,10-dienoate?
methyl hexadeca-5,10-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 hexadeca-5,10-dienoate is sourced from PubChem (CID 163047560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).