(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid

C22H40O2 — CID 5312331

IUPAC(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
SMILESCCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O
InChIInChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
InChIKeyAGKRHAILCPYNFH-DUQSFWPASA-N
MW336.56 g/mol
LogP7.30
Rot. Bonds16

About (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid

(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid (PubChem CID 5312331) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid.

Molecular Properties

Compound Name(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
PubChem CID5312331
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
SMILESCCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O
InChIInChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
InChIKeyAGKRHAILCPYNFH-DUQSFWPASA-N
XLogP7.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.30
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,8Z)-7,7-dimethylicosa-5,8-dienoic acid?
The IUPAC name of (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid (CID 5312331) is (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid.
What is the SMILES notation for (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid?
The canonical SMILES for (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid is CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid?
The InChIKey is AGKRHAILCPYNFH-DUQSFWPASA-N. The full InChI is InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-.
What are the key properties of (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid?
(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid has a molecular weight of 336.56 g/mol, XLogP of 7.30, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid is sourced from PubChem (CID 5312331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).