(2E,4E,8E)-tetradeca-2,4,8-trienoic acid

C14H22O2 — CID 88513296

IUPAC(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
SMILESCCCCC/C=C/CC/C=C/C=C/C(=O)O
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,10-13H,2-5,8-9H2,1H3,(H,15,16)/b7-6+,11-10+,13-12+
InChIKeyRPBFIQCSUWMGCM-ABLBLSHISA-N
MW222.33 g/mol
LogP4.10
Rot. Bonds9

About (2E,4E,8E)-tetradeca-2,4,8-trienoic acid

(2E,4E,8E)-tetradeca-2,4,8-trienoic acid (PubChem CID 88513296) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2E,4E,8E)-tetradeca-2,4,8-trienoic acid.

Molecular Properties

Compound Name(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
PubChem CID88513296
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2E,4E,8E)-tetradeca-2,4,8-trienoic acid
SMILESCCCCC/C=C/CC/C=C/C=C/C(=O)O
InChIInChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,10-13H,2-5,8-9H2,1H3,(H,15,16)/b7-6+,11-10+,13-12+
InChIKeyRPBFIQCSUWMGCM-ABLBLSHISA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.10
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

icosa-2,4,8-trienoic acid
CID 78383952
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
azane;dodeca-2,4-dienoic acid
CID 174563549
(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
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758

Frequently Asked Questions

What is the IUPAC name of (2E,4E,8E)-tetradeca-2,4,8-trienoic acid?
The IUPAC name of (2E,4E,8E)-tetradeca-2,4,8-trienoic acid (CID 88513296) is (2E,4E,8E)-tetradeca-2,4,8-trienoic acid.
What is the SMILES notation for (2E,4E,8E)-tetradeca-2,4,8-trienoic acid?
The canonical SMILES for (2E,4E,8E)-tetradeca-2,4,8-trienoic acid is CCCCC/C=C/CC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,8E)-tetradeca-2,4,8-trienoic acid?
The InChIKey is RPBFIQCSUWMGCM-ABLBLSHISA-N. The full InChI is InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,10-13H,2-5,8-9H2,1H3,(H,15,16)/b7-6+,11-10+,13-12+.
What are the key properties of (2E,4E,8E)-tetradeca-2,4,8-trienoic acid?
(2E,4E,8E)-tetradeca-2,4,8-trienoic acid has a molecular weight of 222.33 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E)-tetradeca-2,4,8-trienoic acid is sourced from PubChem (CID 88513296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).