(5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene

C24H42O — CID 10569636

IUPAC(5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)CC
InChIInChI=1S/C24H42O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3/b10-9-,13-12-,16-15-,19-18-
InChIKeyZRUKAIKMHYCHDJ-SNPVRQPZSA-N
MW346.60 g/mol
LogP7.95
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene (PubChem CID 10569636) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene
PubChem CID10569636
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name(5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)CC
InChIInChI=1S/C24H42O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3/b10-9-,13-12-,16-15-,19-18-
InChIKeyZRUKAIKMHYCHDJ-SNPVRQPZSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.95
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene (CID 10569636) is (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(C)CC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene?
The InChIKey is ZRUKAIKMHYCHDJ-SNPVRQPZSA-N. The full InChI is InChI=1S/C24H42O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3/b10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-butan-2-yloxyicosa-5,8,11,14-tetraene has a molecular weight of 346.60 g/mol, XLogP of 7.95, 17 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-butan-2-yloxyicosa-5,8,11,14-tetraene is sourced from PubChem (CID 10569636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).