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

C27H50O2 — CID 44567153

IUPAC(5Z,9Z)-heptacosa-5,9-dienoic acid
SMILESCCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C27H50O2/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/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
InChIKeyQHCUSXRHMXVISV-ZCIBKELESA-N
MW406.70 g/mol
LogP9.40
Rot. Bonds23

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

(5Z,9Z)-heptacosa-5,9-dienoic acid (PubChem CID 44567153) has the molecular formula C27H50O2 and a molecular weight of 406.70 g/mol. Its IUPAC name is (5Z,9Z)-heptacosa-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,9Z)-heptacosa-5,9-dienoic acid
PubChem CID44567153
Molecular FormulaC27H50O2
Molecular Weight406.70 g/mol
Exact Mass406.38
IUPAC Name(5Z,9Z)-heptacosa-5,9-dienoic acid
SMILESCCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C27H50O2/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/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
InChIKeyQHCUSXRHMXVISV-ZCIBKELESA-N
XLogP9.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 59.40
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'}

Analyze (5Z,9Z)-heptacosa-5,9-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(5E,9E)-triaconta-5,9-dienoic acid
CID 14753661
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tricos-5-enoic acid
CID 170849785
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 (5Z,9Z)-heptacosa-5,9-dienoic acid?
The IUPAC name of (5Z,9Z)-heptacosa-5,9-dienoic acid (CID 44567153) is (5Z,9Z)-heptacosa-5,9-dienoic acid.
What is the SMILES notation for (5Z,9Z)-heptacosa-5,9-dienoic acid?
The canonical SMILES for (5Z,9Z)-heptacosa-5,9-dienoic acid is CCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,9Z)-heptacosa-5,9-dienoic acid?
The InChIKey is QHCUSXRHMXVISV-ZCIBKELESA-N. The full InChI is InChI=1S/C27H50O2/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/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-.
What are the key properties of (5Z,9Z)-heptacosa-5,9-dienoic acid?
(5Z,9Z)-heptacosa-5,9-dienoic acid has a molecular weight of 406.70 g/mol, XLogP of 9.40, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-heptacosa-5,9-dienoic acid is sourced from PubChem (CID 44567153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).