1-ethenoxyoctadecane

C20H40O — CID 13585

IUPAC1-ethenoxyoctadecane
SMILESC=COCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3
InChIKeyQJJDJWUCRAPCOL-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.41
Rot. Bonds18

About 1-ethenoxyoctadecane

1-ethenoxyoctadecane (PubChem CID 13585) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-ethenoxyoctadecane.

Molecular Properties

Compound Name1-ethenoxyoctadecane
PubChem CID13585
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name1-ethenoxyoctadecane
SMILESC=COCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3
InChIKeyQJJDJWUCRAPCOL-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.41
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

Decane, 1-(ethenyloxy)-
CID 12999
Lauryl vinyl ether
CID 69826
Cetyl vinyl ether
CID 69971
1-Methoxyhexadecane
CID 542228
1-Methoxyoctadecane
CID 14026379
1-(Vinyloxy)octane
CID 70249
Nonane, 1-(ethenyloxy)-
CID 11240733
1-(Ethenyloxy)heptane
CID 14454735
1,12-Bis(ethenoxy)octadecane
CID 301650
Eicosyl methyl ether
CID 54300245
1-Docosanol, methyl ether
CID 87077550
1-[(E)-2-fluoroethenoxy]dodecane
CID 121408637

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyoctadecane?
The IUPAC name of 1-ethenoxyoctadecane (CID 13585) is 1-ethenoxyoctadecane.
What is the SMILES notation for 1-ethenoxyoctadecane?
The canonical SMILES for 1-ethenoxyoctadecane is C=COCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxyoctadecane?
The InChIKey is QJJDJWUCRAPCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3.
What are the key properties of 1-ethenoxyoctadecane?
1-ethenoxyoctadecane has a molecular weight of 296.54 g/mol, XLogP of 7.41, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyoctadecane is sourced from PubChem (CID 13585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).