triaconta-2,4-dienoic acid

C30H56O2 — CID 54201076

IUPACtriaconta-2,4-dienoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC=CC=CC(=O)O
InChIInChI=1S/C30H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h26-29H,2-25H2,1H3,(H,31,32)
InChIKeyPPHDRIQUQCNOIS-UHFFFAOYSA-N
MW448.78 g/mol
LogP10.57
Rot. Bonds26

About triaconta-2,4-dienoic acid

triaconta-2,4-dienoic acid (PubChem CID 54201076) has the molecular formula C30H56O2 and a molecular weight of 448.78 g/mol. Its IUPAC name is triaconta-2,4-dienoic acid.

Molecular Properties

Compound Nametriaconta-2,4-dienoic acid
PubChem CID54201076
Molecular FormulaC30H56O2
Molecular Weight448.78 g/mol
Exact Mass448.43
IUPAC Nametriaconta-2,4-dienoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC=CC=CC(=O)O
InChIInChI=1S/C30H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h26-29H,2-25H2,1H3,(H,31,32)
InChIKeyPPHDRIQUQCNOIS-UHFFFAOYSA-N
XLogP10.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 510.57
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'}

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Related Compounds

(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
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
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
docosa-2,4,6,8-tetraenoic acid
CID 158920983
heptadeca-2,4,6-trienoic acid
CID 54182900
(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

Frequently Asked Questions

What is the IUPAC name of triaconta-2,4-dienoic acid?
The IUPAC name of triaconta-2,4-dienoic acid (CID 54201076) is triaconta-2,4-dienoic acid.
What is the SMILES notation for triaconta-2,4-dienoic acid?
The canonical SMILES for triaconta-2,4-dienoic acid is CCCCCCCCCCCCCCCCCCCCCCCCCC=CC=CC(=O)O.
What is the InChIKey of triaconta-2,4-dienoic acid?
The InChIKey is PPHDRIQUQCNOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h26-29H,2-25H2,1H3,(H,31,32).
What are the key properties of triaconta-2,4-dienoic acid?
triaconta-2,4-dienoic acid has a molecular weight of 448.78 g/mol, XLogP of 10.57, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triaconta-2,4-dienoic acid is sourced from PubChem (CID 54201076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).