20-methylhenicosa-2,4-dienoic acid

C22H40O2 — CID 118268246

IUPAC20-methylhenicosa-2,4-dienoic acid
SMILESCC(C)CCCCCCCCCCCCCCC=CC=CC(=O)O
InChIInChI=1S/C22H40O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)24/h14,16,18,20-21H,3-13,15,17,19H2,1-2H3,(H,23,24)
InChIKeyUTVMDAQVRDNWGF-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.30
Rot. Bonds17

About 20-methylhenicosa-2,4-dienoic acid

20-methylhenicosa-2,4-dienoic acid (PubChem CID 118268246) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 20-methylhenicosa-2,4-dienoic acid.

Molecular Properties

Compound Name20-methylhenicosa-2,4-dienoic acid
PubChem CID118268246
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name20-methylhenicosa-2,4-dienoic acid
SMILESCC(C)CCCCCCCCCCCCCCC=CC=CC(=O)O
InChIInChI=1S/C22H40O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)24/h14,16,18,20-21H,3-13,15,17,19H2,1-2H3,(H,23,24)
InChIKeyUTVMDAQVRDNWGF-UHFFFAOYSA-N
XLogP7.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

19-methylicosa-2,4-dienoic acid
CID 170315585
20-methylhenicosa-2,4-dienedioic acid
CID 118414903
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
15-hydroperoxyicosa-2,4-dienoic acid
CID 123617978
13,14-dihydroxydocosa-2,4,6-trienoic acid
CID 169110942
17,18-dihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070327
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
azane;dodeca-2,4-dienoic acid
CID 174563549

Frequently Asked Questions

What is the IUPAC name of 20-methylhenicosa-2,4-dienoic acid?
The IUPAC name of 20-methylhenicosa-2,4-dienoic acid (CID 118268246) is 20-methylhenicosa-2,4-dienoic acid.
What is the SMILES notation for 20-methylhenicosa-2,4-dienoic acid?
The canonical SMILES for 20-methylhenicosa-2,4-dienoic acid is CC(C)CCCCCCCCCCCCCCC=CC=CC(=O)O.
What is the InChIKey of 20-methylhenicosa-2,4-dienoic acid?
The InChIKey is UTVMDAQVRDNWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)24/h14,16,18,20-21H,3-13,15,17,19H2,1-2H3,(H,23,24).
What are the key properties of 20-methylhenicosa-2,4-dienoic acid?
20-methylhenicosa-2,4-dienoic acid has a molecular weight of 336.56 g/mol, XLogP of 7.30, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methylhenicosa-2,4-dienoic acid is sourced from PubChem (CID 118268246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).