icosa-7,8-dienoic acid

C20H36O2 — CID 102066359

IUPACicosa-7,8-dienoic acid
SMILESCCCCCCCCCCCC=C=CCCCCCC(=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/h12,14H,2-11,15-19H2,1H3,(H,21,22)
InChIKeyIDIFLXHHWAEGTC-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.65
Rot. Bonds16

About icosa-7,8-dienoic acid

icosa-7,8-dienoic acid (PubChem CID 102066359) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is icosa-7,8-dienoic acid.

Molecular Properties

Compound Nameicosa-7,8-dienoic acid
PubChem CID102066359
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Nameicosa-7,8-dienoic acid
SMILESCCCCCCCCCCCC=C=CCCCCCC(=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/h12,14H,2-11,15-19H2,1H3,(H,21,22)
InChIKeyIDIFLXHHWAEGTC-UHFFFAOYSA-N
XLogP6.65
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 ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Oleic Acid
CID 445639
Undecylenic Acid
CID 5634
Linolenic Acid
CID 5280934
Linoleic Acid
CID 5280450
Erucic Acid
CID 5281116
Elaidic Acid
CID 637517
Palmitoleic Acid
CID 445638
Docosapentaenoic Acid
CID 5497182
Dihomo-Gamma-Linolenic Acid
CID 5280581
Linolelaidic Acid
CID 5282457
cis-11-Eicosenoic acid
CID 5282768
Nervonic Acid
CID 5281120

Frequently Asked Questions

What is the IUPAC name of icosa-7,8-dienoic acid?
The IUPAC name of icosa-7,8-dienoic acid (CID 102066359) is icosa-7,8-dienoic acid.
What is the SMILES notation for icosa-7,8-dienoic acid?
The canonical SMILES for icosa-7,8-dienoic acid is CCCCCCCCCCCC=C=CCCCCCC(=O)O.
What is the InChIKey of icosa-7,8-dienoic acid?
The InChIKey is IDIFLXHHWAEGTC-UHFFFAOYSA-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/h12,14H,2-11,15-19H2,1H3,(H,21,22).
What are the key properties of icosa-7,8-dienoic acid?
icosa-7,8-dienoic acid has a molecular weight of 308.51 g/mol, XLogP of 6.65, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-7,8-dienoic acid is sourced from PubChem (CID 102066359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).