11-(ethenoxymethyl)tricosane

C26H52O — CID 23296809

IUPAC11-(ethenoxymethyl)tricosane
SMILESC=COCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C26H52O/c1-4-7-9-11-13-15-16-18-20-22-24-26(25-27-6-3)23-21-19-17-14-12-10-8-5-2/h6,26H,3-5,7-25H2,1-2H3
InChIKeyIEXUQBVGZOOBQI-UHFFFAOYSA-N
MW380.70 g/mol
LogP9.60
Rot. Bonds23

About 11-(ethenoxymethyl)tricosane

11-(ethenoxymethyl)tricosane (PubChem CID 23296809) has the molecular formula C26H52O and a molecular weight of 380.70 g/mol. Its IUPAC name is 11-(ethenoxymethyl)tricosane.

Molecular Properties

Compound Name11-(ethenoxymethyl)tricosane
PubChem CID23296809
Molecular FormulaC26H52O
Molecular Weight380.70 g/mol
Exact Mass380.40
IUPAC Name11-(ethenoxymethyl)tricosane
SMILESC=COCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C26H52O/c1-4-7-9-11-13-15-16-18-20-22-24-26(25-27-6-3)23-21-19-17-14-12-10-8-5-2/h6,26H,3-5,7-25H2,1-2H3
InChIKeyIEXUQBVGZOOBQI-UHFFFAOYSA-N
XLogP9.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 59.60
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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Related Compounds

2-Ethylhexyl vinyl ether
CID 61004
Isooctane, (ethenyloxy)-
CID 296393
Ether, 2,6,8-trimethylnonyl vinyl
CID 25002
11-(Butoxymethyl)tricosane
CID 87842016
2-Hexyldecyl octylether
CID 15032029
Vinyl 2,6,8-trimethyl-4-nonyl ether
CID 20403371
1-Methoxy-2,28-dimethyltriacontane
CID 86172840
12-Methyl-1-methoxytetradecane
CID 101834930
Bis(3,7-dimethyl-1-octyl) ether
CID 85776278
11-(Hexoxymethyl)tricosane
CID 87840220
2-Pentylnonyl vinyl ether
CID 90318820
1-Ethenoxy-3-ethyl-1-fluorodecane
CID 141117770

Frequently Asked Questions

What is the IUPAC name of 11-(ethenoxymethyl)tricosane?
The IUPAC name of 11-(ethenoxymethyl)tricosane (CID 23296809) is 11-(ethenoxymethyl)tricosane.
What is the SMILES notation for 11-(ethenoxymethyl)tricosane?
The canonical SMILES for 11-(ethenoxymethyl)tricosane is C=COCC(CCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 11-(ethenoxymethyl)tricosane?
The InChIKey is IEXUQBVGZOOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O/c1-4-7-9-11-13-15-16-18-20-22-24-26(25-27-6-3)23-21-19-17-14-12-10-8-5-2/h6,26H,3-5,7-25H2,1-2H3.
What are the key properties of 11-(ethenoxymethyl)tricosane?
11-(ethenoxymethyl)tricosane has a molecular weight of 380.70 g/mol, XLogP of 9.60, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(ethenoxymethyl)tricosane is sourced from PubChem (CID 23296809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).