octadeca-3,4,11,15-tetraene

C18H30 — CID 174642630

IUPACoctadeca-3,4,11,15-tetraene
SMILESCCC=C=CCCCCCC=CCCC=CCC
InChIInChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5-7,10,13,15H,3-4,9,11-12,14,16-18H2,1-2H3
InChIKeyZJUOMLXUALYDSX-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.36
Rot. Bonds11

About octadeca-3,4,11,15-tetraene

octadeca-3,4,11,15-tetraene (PubChem CID 174642630) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is octadeca-3,4,11,15-tetraene.

Molecular Properties

Compound Nameoctadeca-3,4,11,15-tetraene
PubChem CID174642630
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Nameoctadeca-3,4,11,15-tetraene
SMILESCCC=C=CCCCCCC=CCCC=CCC
InChIInChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5-7,10,13,15H,3-4,9,11-12,14,16-18H2,1-2H3
InChIKeyZJUOMLXUALYDSX-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

dodeca-3,4-diene
CID 91492112
(3E,16E)-nonadeca-3,16-diene
CID 157471321
heptatriaconta-15,18,19-triene
CID 57100861
(8E,10E,12E)-pentadeca-3,4,8,10,12-pentaene
CID 173137684
icosa-1,8,14,17-tetraen-1-one
CID 91100789
(Z)-tridec-3-ene
CID 5362711
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
pentacosa-12,13-diene
CID 174365678
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250

Frequently Asked Questions

What is the IUPAC name of octadeca-3,4,11,15-tetraene?
The IUPAC name of octadeca-3,4,11,15-tetraene (CID 174642630) is octadeca-3,4,11,15-tetraene.
What is the SMILES notation for octadeca-3,4,11,15-tetraene?
The canonical SMILES for octadeca-3,4,11,15-tetraene is CCC=C=CCCCCCC=CCCC=CCC.
What is the InChIKey of octadeca-3,4,11,15-tetraene?
The InChIKey is ZJUOMLXUALYDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5-7,10,13,15H,3-4,9,11-12,14,16-18H2,1-2H3.
What are the key properties of octadeca-3,4,11,15-tetraene?
octadeca-3,4,11,15-tetraene has a molecular weight of 246.44 g/mol, XLogP of 6.36, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-3,4,11,15-tetraene is sourced from PubChem (CID 174642630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).