icosane;oxalic acid

C22H44O4 — CID 175691290

IUPACicosane;oxalic acid
SMILESCCCCCCCCCCCCCCCCCCCC.O=C(O)C(=O)O
InChIInChI=1S/C20H42.C2H2O4/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;3-1(4)2(5)6/h3-20H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIQXJQLNHGYHOHK-UHFFFAOYSA-N
MW372.59 g/mol
LogP7.20
Rot. Bonds17

About icosane;oxalic acid

icosane;oxalic acid (PubChem CID 175691290) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is icosane;oxalic acid.

Molecular Properties

Compound Nameicosane;oxalic acid
PubChem CID175691290
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Nameicosane;oxalic acid
SMILESCCCCCCCCCCCCCCCCCCCC.O=C(O)C(=O)O
InChIInChI=1S/C20H42.C2H2O4/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;3-1(4)2(5)6/h3-20H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIQXJQLNHGYHOHK-UHFFFAOYSA-N
XLogP7.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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decane;propanoic acid
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CID 158715869
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CID 173003652
bis(butanedioic acid);decane
CID 159628544
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-oxotricosanoic acid
CID 5312932
2-oxoheptadecanoic acid
CID 5312901
octadecanoic acid
CID 157075632

Frequently Asked Questions

What is the IUPAC name of icosane;oxalic acid?
The IUPAC name of icosane;oxalic acid (CID 175691290) is icosane;oxalic acid.
What is the SMILES notation for icosane;oxalic acid?
The canonical SMILES for icosane;oxalic acid is CCCCCCCCCCCCCCCCCCCC.O=C(O)C(=O)O.
What is the InChIKey of icosane;oxalic acid?
The InChIKey is IQXJQLNHGYHOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42.C2H2O4/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;3-1(4)2(5)6/h3-20H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of icosane;oxalic acid?
icosane;oxalic acid has a molecular weight of 372.59 g/mol, XLogP of 7.20, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosane;oxalic acid is sourced from PubChem (CID 175691290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).