(10E,13E)-nonadeca-10,13-dienoic acid

C19H34O2 — CID 5312516

IUPAC(10E,13E)-nonadeca-10,13-dienoic acid
SMILESCCCCC/C=C/C/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6+,10-9+
InChIKeyFLYBGKXSHCVONZ-AVQMFFATSA-N
MW294.48 g/mol
LogP6.27
Rot. Bonds15

About (10E,13E)-nonadeca-10,13-dienoic acid

(10E,13E)-nonadeca-10,13-dienoic acid (PubChem CID 5312516) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (10E,13E)-nonadeca-10,13-dienoic acid.

Molecular Properties

Compound Name(10E,13E)-nonadeca-10,13-dienoic acid
PubChem CID5312516
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(10E,13E)-nonadeca-10,13-dienoic acid
SMILESCCCCC/C=C/C/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6+,10-9+
InChIKeyFLYBGKXSHCVONZ-AVQMFFATSA-N
XLogP6.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.27
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

tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800
triaconta-13,16,19-trienoic acid
CID 169277220

Frequently Asked Questions

What is the IUPAC name of (10E,13E)-nonadeca-10,13-dienoic acid?
The IUPAC name of (10E,13E)-nonadeca-10,13-dienoic acid (CID 5312516) is (10E,13E)-nonadeca-10,13-dienoic acid.
What is the SMILES notation for (10E,13E)-nonadeca-10,13-dienoic acid?
The canonical SMILES for (10E,13E)-nonadeca-10,13-dienoic acid is CCCCC/C=C/C/C=C/CCCCCCCCC(=O)O.
What is the InChIKey of (10E,13E)-nonadeca-10,13-dienoic acid?
The InChIKey is FLYBGKXSHCVONZ-AVQMFFATSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,20,21)/b7-6+,10-9+.
What are the key properties of (10E,13E)-nonadeca-10,13-dienoic acid?
(10E,13E)-nonadeca-10,13-dienoic acid has a molecular weight of 294.48 g/mol, XLogP of 6.27, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,13E)-nonadeca-10,13-dienoic acid is sourced from PubChem (CID 5312516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).