(5Z,9Z)-icosa-5,9-dienoic acid

C20H36O2 — CID 52921852

IUPAC(5Z,9Z)-icosa-5,9-dienoic acid
SMILESCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-
InChIKeyCMBQZQWDEKQNGW-ATNUXVQMSA-N
MW308.51 g/mol
LogP6.66
Rot. Bonds16

About (5Z,9Z)-icosa-5,9-dienoic acid

(5Z,9Z)-icosa-5,9-dienoic acid (PubChem CID 52921852) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (5Z,9Z)-icosa-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,9Z)-icosa-5,9-dienoic acid
PubChem CID52921852
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(5Z,9Z)-icosa-5,9-dienoic acid
SMILESCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-
InChIKeyCMBQZQWDEKQNGW-ATNUXVQMSA-N
XLogP6.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.66
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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Frequently Asked Questions

What is the IUPAC name of (5Z,9Z)-icosa-5,9-dienoic acid?
The IUPAC name of (5Z,9Z)-icosa-5,9-dienoic acid (CID 52921852) is (5Z,9Z)-icosa-5,9-dienoic acid.
What is the SMILES notation for (5Z,9Z)-icosa-5,9-dienoic acid?
The canonical SMILES for (5Z,9Z)-icosa-5,9-dienoic acid is CCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,9Z)-icosa-5,9-dienoic acid?
The InChIKey is CMBQZQWDEKQNGW-ATNUXVQMSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-.
What are the key properties of (5Z,9Z)-icosa-5,9-dienoic acid?
(5Z,9Z)-icosa-5,9-dienoic acid has a molecular weight of 308.51 g/mol, XLogP of 6.66, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-icosa-5,9-dienoic acid is sourced from PubChem (CID 52921852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).