(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid

C16H24O2 — CID 131839761

IUPAC(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
SMILESCCCC/C=C\C/C=C\C/C=C\C/C=C\C(=O)O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3,(H,17,18)/b6-5-,9-8-,12-11-,15-14-
InChIKeyKKUJZJATEHIVBG-AFSLFLIVSA-N
MW248.37 g/mol
LogP4.66
Rot. Bonds10

About (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid

(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid (PubChem CID 131839761) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid.

Molecular Properties

Compound Name(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
PubChem CID131839761
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
SMILESCCCC/C=C\C/C=C\C/C=C\C/C=C\C(=O)O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3,(H,17,18)/b6-5-,9-8-,12-11-,15-14-
InChIKeyKKUJZJATEHIVBG-AFSLFLIVSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid with MolForge

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Related Compounds

(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
CID 158204021
CID 158204021
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
cyclopentane;(E)-hept-2-enoic acid
CID 66887361
icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818
(Z)-oct-2-enoic acid
CID 5282713
trideca-5,8-dien-4-one
CID 172853119
(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
CID 122652097
(Z)-but-2-enedioic acid;oct-3-en-1-ol
CID 175499439
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
(E)-oct-2-enoic acid;zirconium
CID 89456417

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid?
The IUPAC name of (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid (CID 131839761) is (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid.
What is the SMILES notation for (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid?
The canonical SMILES for (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid is CCCC/C=C\C/C=C\C/C=C\C/C=C\C(=O)O.
What is the InChIKey of (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid?
The InChIKey is KKUJZJATEHIVBG-AFSLFLIVSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3,(H,17,18)/b6-5-,9-8-,12-11-,15-14-.
What are the key properties of (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid?
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid is sourced from PubChem (CID 131839761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).