1-ethenoxyoctadeca-1,3-diene

C20H36O — CID 141161901

IUPAC1-ethenoxyoctadeca-1,3-diene
SMILESC=COC=CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4,17-20H,2-3,5-16H2,1H3
InChIKeyWINUEEKZVLBNCR-UHFFFAOYSA-N
MW292.51 g/mol
LogP7.31
Rot. Bonds16

About 1-ethenoxyoctadeca-1,3-diene

1-ethenoxyoctadeca-1,3-diene (PubChem CID 141161901) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-ethenoxyoctadeca-1,3-diene.

Molecular Properties

Compound Name1-ethenoxyoctadeca-1,3-diene
PubChem CID141161901
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-ethenoxyoctadeca-1,3-diene
SMILESC=COC=CC=CCCCCCCCCCCCCCC
InChIInChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4,17-20H,2-3,5-16H2,1H3
InChIKeyWINUEEKZVLBNCR-UHFFFAOYSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 57.31
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
(22E)-heptatetraconta-22,24-diene
CID 56629131
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
nonacosa-1,7,9,21-tetraene
CID 175853197
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
tetradeca-1,5,7-triene
CID 174048281

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyoctadeca-1,3-diene?
The IUPAC name of 1-ethenoxyoctadeca-1,3-diene (CID 141161901) is 1-ethenoxyoctadeca-1,3-diene.
What is the SMILES notation for 1-ethenoxyoctadeca-1,3-diene?
The canonical SMILES for 1-ethenoxyoctadeca-1,3-diene is C=COC=CC=CCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenoxyoctadeca-1,3-diene?
The InChIKey is WINUEEKZVLBNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4,17-20H,2-3,5-16H2,1H3.
What are the key properties of 1-ethenoxyoctadeca-1,3-diene?
1-ethenoxyoctadeca-1,3-diene has a molecular weight of 292.51 g/mol, XLogP of 7.31, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyoctadeca-1,3-diene is sourced from PubChem (CID 141161901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).