(2Z)-2-ethylideneicosanoic acid

C22H42O2 — CID 130276561

IUPAC(2Z)-2-ethylideneicosanoic acid
SMILESC/C=C(/CCCCCCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22(23)24/h4H,3,5-20H2,1-2H3,(H,23,24)/b21-4-
InChIKeyJORZOQNRNARCBI-IGLQUIOVSA-N
MW338.58 g/mol
LogP7.67
Rot. Bonds18

About (2Z)-2-ethylideneicosanoic acid

(2Z)-2-ethylideneicosanoic acid (PubChem CID 130276561) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is (2Z)-2-ethylideneicosanoic acid.

Molecular Properties

Compound Name(2Z)-2-ethylideneicosanoic acid
PubChem CID130276561
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name(2Z)-2-ethylideneicosanoic acid
SMILESC/C=C(/CCCCCCCCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22(23)24/h4H,3,5-20H2,1-2H3,(H,23,24)/b21-4-
InChIKeyJORZOQNRNARCBI-IGLQUIOVSA-N
XLogP7.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.67
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'}

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Related Compounds

acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
acetic acid;2-ethylideneheptanoic acid
CID 161103841
(2Z)-2-(hydroxymethylidene)heptanoic acid
CID 23213326
(Z)-2-decylbut-2-enedioic acid
CID 18386424
2-ethylidene-8-hydroxyoctanoic acid
CID 123361618
2-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483
2-ethylideneoctadecanamide
CID 141119567
(2E)-7-amino-2-ethylideneheptanoic acid
CID 172696017
sodium;(Z)-2-hexadecylbut-2-enedioic acid;hydride
CID 173462321
2-octylpent-2-enedioic acid
CID 78151404
2-carboxyoct-1-enyl-hydroxy-oxophosphanium
CID 173403796

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylideneicosanoic acid?
The IUPAC name of (2Z)-2-ethylideneicosanoic acid (CID 130276561) is (2Z)-2-ethylideneicosanoic acid.
What is the SMILES notation for (2Z)-2-ethylideneicosanoic acid?
The canonical SMILES for (2Z)-2-ethylideneicosanoic acid is C/C=C(/CCCCCCCCCCCCCCCCCC)C(=O)O.
What is the InChIKey of (2Z)-2-ethylideneicosanoic acid?
The InChIKey is JORZOQNRNARCBI-IGLQUIOVSA-N. The full InChI is InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(4-2)22(23)24/h4H,3,5-20H2,1-2H3,(H,23,24)/b21-4-.
What are the key properties of (2Z)-2-ethylideneicosanoic acid?
(2Z)-2-ethylideneicosanoic acid has a molecular weight of 338.58 g/mol, XLogP of 7.67, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylideneicosanoic acid is sourced from PubChem (CID 130276561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).