(5E,9E)-triaconta-5,9-dienoic acid

C30H56O2 — CID 14753661

IUPAC(5E,9E)-triaconta-5,9-dienoic acid
SMILESCCCCCCCCCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=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/h21-22,25-26H,2-20,23-24,27-29H2,1H3,(H,31,32)/b22-21+,26-25+
InChIKeyJBJAKZAOYBKUDH-WWAHWXIYSA-N
MW448.78 g/mol
LogP10.57
Rot. Bonds26

About (5E,9E)-triaconta-5,9-dienoic acid

(5E,9E)-triaconta-5,9-dienoic acid (PubChem CID 14753661) has the molecular formula C30H56O2 and a molecular weight of 448.78 g/mol. Its IUPAC name is (5E,9E)-triaconta-5,9-dienoic acid.

Molecular Properties

Compound Name(5E,9E)-triaconta-5,9-dienoic acid
PubChem CID14753661
Molecular FormulaC30H56O2
Molecular Weight448.78 g/mol
Exact Mass448.43
IUPAC Name(5E,9E)-triaconta-5,9-dienoic acid
SMILESCCCCCCCCCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=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/h21-22,25-26H,2-20,23-24,27-29H2,1H3,(H,31,32)/b22-21+,26-25+
InChIKeyJBJAKZAOYBKUDH-WWAHWXIYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z,9Z)-heptacosa-5,9-dienoic acid
CID 44567153
(5E,9E)-hexacosa-5,9-dienoic acid
CID 5312573
(5E,9E,23E)-nonacosa-5,9,23-trienoic acid
CID 15613193
(5Z,9Z)-triaconta-5,9-dienoic acid
CID 14753662
(Z)-tricos-5-enoic acid
CID 170849785
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
icosa-5,10,14-trienoic acid
CID 162425903
(6Z,10Z)-octadeca-6,10-dienoic acid
CID 87830087
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-triaconta-5,9-dienoic acid?
The IUPAC name of (5E,9E)-triaconta-5,9-dienoic acid (CID 14753661) is (5E,9E)-triaconta-5,9-dienoic acid.
What is the SMILES notation for (5E,9E)-triaconta-5,9-dienoic acid?
The canonical SMILES for (5E,9E)-triaconta-5,9-dienoic acid is CCCCCCCCCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=O)O.
What is the InChIKey of (5E,9E)-triaconta-5,9-dienoic acid?
The InChIKey is JBJAKZAOYBKUDH-WWAHWXIYSA-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/h21-22,25-26H,2-20,23-24,27-29H2,1H3,(H,31,32)/b22-21+,26-25+.
What are the key properties of (5E,9E)-triaconta-5,9-dienoic acid?
(5E,9E)-triaconta-5,9-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 (5E,9E)-triaconta-5,9-dienoic acid is sourced from PubChem (CID 14753661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).