1-ethenoxyicosane

C22H44O — CID 14454740

IUPAC1-ethenoxyicosane
SMILESC=COCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h4H,2-3,5-22H2,1H3
InChIKeyUDFGOCHRCDDTFD-UHFFFAOYSA-N
MW324.59 g/mol
LogP8.19
Rot. Bonds20

About 1-ethenoxyicosane

1-ethenoxyicosane (PubChem CID 14454740) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 1-ethenoxyicosane.

Molecular Properties

Compound Name1-ethenoxyicosane
PubChem CID14454740
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name1-ethenoxyicosane
SMILESC=COCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C22H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h4H,2-3,5-22H2,1H3
InChIKeyUDFGOCHRCDDTFD-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyicosane?
The IUPAC name of 1-ethenoxyicosane (CID 14454740) is 1-ethenoxyicosane.
What is the SMILES notation for 1-ethenoxyicosane?
The canonical SMILES for 1-ethenoxyicosane is C=COCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxyicosane?
The InChIKey is UDFGOCHRCDDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h4H,2-3,5-22H2,1H3.
What are the key properties of 1-ethenoxyicosane?
1-ethenoxyicosane has a molecular weight of 324.59 g/mol, XLogP of 8.19, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyicosane is sourced from PubChem (CID 14454740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).