formyl docosanoate

C23H44O3 — CID 87130713

IUPACformyl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC=O
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)26-22-24/h22H,2-21H2,1H3
InChIKeyOVYVURLFKUSVHT-UHFFFAOYSA-N
MW368.60 g/mol
LogP7.51
Rot. Bonds21

About formyl docosanoate

formyl docosanoate (PubChem CID 87130713) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is formyl docosanoate.

Molecular Properties

Compound Nameformyl docosanoate
PubChem CID87130713
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Nameformyl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC=O
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)26-22-24/h22H,2-21H2,1H3
InChIKeyOVYVURLFKUSVHT-UHFFFAOYSA-N
XLogP7.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

formyl heptanoate
CID 57242473
potassium;formyl dodecanoate;hydride
CID 173298306
diformyl octanedioate
CID 22123750
diformyl dodecanedioate
CID 57224405
ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
diformyl pentanedioate
CID 57199083
acetic acid;ethenyl octadecanoate
CID 87067593
prop-1-enyl dodecanoate
CID 87388098

Frequently Asked Questions

What is the IUPAC name of formyl docosanoate?
The IUPAC name of formyl docosanoate (CID 87130713) is formyl docosanoate.
What is the SMILES notation for formyl docosanoate?
The canonical SMILES for formyl docosanoate is CCCCCCCCCCCCCCCCCCCCCC(=O)OC=O.
What is the InChIKey of formyl docosanoate?
The InChIKey is OVYVURLFKUSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)26-22-24/h22H,2-21H2,1H3.
What are the key properties of formyl docosanoate?
formyl docosanoate has a molecular weight of 368.60 g/mol, XLogP of 7.51, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl docosanoate is sourced from PubChem (CID 87130713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).