2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane

C19H30O2 — CID 19688869

IUPAC2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane
SMILESCC/C=C/C/C=C/CCCC#CCCOC1CCCCO1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,6-7,19H,2,5,8-10,13-18H2,1H3/b4-3+,7-6+
InChIKeyIYWQFNXREBFQJJ-FZWLCVONSA-N
MW290.45 g/mol
LogP5.01
Rot. Bonds9

About 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane

2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane (PubChem CID 19688869) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane.

Molecular Properties

Compound Name2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane
PubChem CID19688869
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane
SMILESCC/C=C/C/C=C/CCCC#CCCOC1CCCCO1
InChIInChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,6-7,19H,2,5,8-10,13-18H2,1H3/b4-3+,7-6+
InChIKeyIYWQFNXREBFQJJ-FZWLCVONSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane with MolForge

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Related Compounds

2H-Pyran, tetrahydro-2-[(6Z)-6-nonen-2-yn-1-yloxy]-
CID 177843239
2H-Pyran, 2-(3-hexen-1-yloxy)tetrahydro-
CID 3021738
(8Z,11Z)-1-(tetrahydropyran-2-yloxy)-8,11-tetradecadien-3-yne
CID 10989926
2-[(E)-dodec-5-en-7-ynoxy]oxane
CID 12819518
2-Dec-9-en-3-ynoxyoxane
CID 49766182
2-Undec-10-en-4-ynoxyoxane
CID 49766259
(4Z)-1-(tetrahydropyran-2-yloxy)-4-decene
CID 67591886
2-(Eicosa-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 72205194
2-(Hexadeca-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 102529603
2-(Docosa-5z,9z-dien-1-yloxy)tetrahydro-2h-pyran
CID 129885915
2H-Pyran, tetrahydro-2-(12-tetradecen-9-yn-1-yloxy)-
CID 109439
2H-Pyran, tetrahydro-2-((11E)-11-tetradecen-9-yn-1-yloxy)-
CID 6437393

Frequently Asked Questions

What is the IUPAC name of 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane?
The IUPAC name of 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane (CID 19688869) is 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane.
What is the SMILES notation for 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane?
The canonical SMILES for 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane is CC/C=C/C/C=C/CCCC#CCCOC1CCCCO1.
What is the InChIKey of 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane?
The InChIKey is IYWQFNXREBFQJJ-FZWLCVONSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,6-7,19H,2,5,8-10,13-18H2,1H3/b4-3+,7-6+.
What are the key properties of 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane?
2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane has a molecular weight of 290.45 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8E,11E)-tetradeca-8,11-dien-3-ynoxy]oxane is sourced from PubChem (CID 19688869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).