(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene

C23H36O — CID 10782537

IUPAC(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene
SMILESC#CCOCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C23H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-22-4-2/h2,8-9,11-12,14-15,17-18H,3,5-7,10,13,16,19-23H2,1H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyJJRDCGOPXAITEI-GKFVBPDJSA-N
MW328.54 g/mol
LogP6.78
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene (PubChem CID 10782537) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene
PubChem CID10782537
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene
SMILESC#CCOCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C23H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-22-4-2/h2,8-9,11-12,14-15,17-18H,3,5-7,10,13,16,19-23H2,1H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyJJRDCGOPXAITEI-GKFVBPDJSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene with MolForge

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Related Compounds

1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
tetradeca-5,8-dien-1-yne
CID 140824336
4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-1-ol
CID 138620632
(Z)-1-butoxyheptadec-8-ene
CID 87205101
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
1-(prop-2-ynoxymethoxy)decane
CID 156529651
(Z)-1-ethoxypentadec-7-ene
CID 87516958
15-ethoxypentadec-7-ene
CID 91170991

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene (CID 10782537) is (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene is C#CCOCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene?
The InChIKey is JJRDCGOPXAITEI-GKFVBPDJSA-N. The full InChI is InChI=1S/C23H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-22-4-2/h2,8-9,11-12,14-15,17-18H,3,5-7,10,13,16,19-23H2,1H3/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene has a molecular weight of 328.54 g/mol, XLogP of 6.78, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-1-prop-2-ynoxyicosa-5,8,11,14-tetraene is sourced from PubChem (CID 10782537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).