(5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene

C24H42O — CID 10688959

IUPAC(5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCCC
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3/b10-9-,13-12-,16-15-,19-18-
InChIKeyRFFASACUSSXMKN-SNPVRQPZSA-N
MW346.60 g/mol
LogP7.95
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene (PubChem CID 10688959) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene
PubChem CID10688959
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name(5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCCC
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3/b10-9-,13-12-,16-15-,19-18-
InChIKeyRFFASACUSSXMKN-SNPVRQPZSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
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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Related Compounds

5-(Pentyloxy)-2-pentene (E)
CID 5363451
[((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxymethyl]-cyclopropane
CID 10759917
(5Z,8Z,11Z,14Z)-1-Isopropoxy-icosa-5,8,11,14-tetraene
CID 10830440
(5Z,8Z,11Z,14Z)-1-(2-Fluoro-ethoxy)-icosa-5,8,11,14-tetraene
CID 10830719
(5Z,8Z,11Z,14Z)-1-Methoxy-icosa-5,8,11,14-tetraene
CID 10518636
(5Z,8Z,11Z,14Z)-1-Isobutoxy-icosa-5,8,11,14-tetraene
CID 10521551
(5Z,8Z,11Z,14Z)-1-sec-Butoxy-icosa-5,8,11,14-tetraene
CID 10569636
(5Z,8Z,11Z,14Z)-1-Allyloxy-icosa-5,8,11,14-tetraene
CID 10616456
(5Z,8Z,11Z,14Z)-1-Propoxy-icosa-5,8,11,14-tetraene
CID 10711666
(5Z,8Z,11Z,14Z)-1-Prop-2-ynyloxy-icosa-5,8,11,14-tetraene
CID 10782537
(5Z,8Z,11Z,14Z)-1-Ethoxy-icosa-5,8,11,14-tetraene
CID 10853039
Arachidonyl alcohol
CID 10891603

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene (CID 10688959) is (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene?
The InChIKey is RFFASACUSSXMKN-SNPVRQPZSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3/b10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-butoxyicosa-5,8,11,14-tetraene has a molecular weight of 346.60 g/mol, XLogP of 7.95, 18 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-butoxyicosa-5,8,11,14-tetraene is sourced from PubChem (CID 10688959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).