(5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene

C24H42O — CID 10521551

IUPAC(5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC(C)C
InChIInChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyJCJKYNUFZROTEZ-GKFVBPDJSA-N
MW346.60 g/mol
LogP7.80
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene (PubChem CID 10521551) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene
PubChem CID10521551
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name(5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC(C)C
InChIInChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyJCJKYNUFZROTEZ-GKFVBPDJSA-N
XLogP7.80
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 ≤ 57.80
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-(2-methylpropoxy)icosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene (CID 10521551) is (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC(C)C.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene?
The InChIKey is JCJKYNUFZROTEZ-GKFVBPDJSA-N. The full InChI is InChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-(2-methylpropoxy)icosa-5,8,11,14-tetraene has a molecular weight of 346.60 g/mol, XLogP of 7.80, 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-(2-methylpropoxy)icosa-5,8,11,14-tetraene is sourced from PubChem (CID 10521551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).