(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid

C16H24O2 — CID 21158972

IUPAC(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
SMILESCCCCCCC/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/h8-15H,2-7H2,1H3,(H,17,18)/b9-8+,11-10-,13-12-,15-14+
InChIKeyBJNARTXTPVWSGJ-VMOFKCGZSA-N
MW248.37 g/mol
LogP4.66
Rot. Bonds10

About (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid

(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid (PubChem CID 21158972) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
PubChem CID21158972
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
SMILESCCCCCCC/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/h8-15H,2-7H2,1H3,(H,17,18)/b9-8+,11-10-,13-12-,15-14+
InChIKeyBJNARTXTPVWSGJ-VMOFKCGZSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid with MolForge

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Related Compounds

(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 156787428
(2E)-octadeca-2,4,6,8-tetraenoic acid
CID 89498479
tricosa-2,4,6,8-tetraenoic acid
CID 53406034
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583
nonacosa-2,4,6-trienoic acid
CID 54271388
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid?
The IUPAC name of (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid (CID 21158972) is (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid.
What is the SMILES notation for (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid?
The canonical SMILES for (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid is CCCCCCC/C=C/C=C\C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid?
The InChIKey is BJNARTXTPVWSGJ-VMOFKCGZSA-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/h8-15H,2-7H2,1H3,(H,17,18)/b9-8+,11-10-,13-12-,15-14+.
What are the key properties of (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid?
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-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 (2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 21158972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).