pentacosa-3,9,11,15-tetraene

C25H44 — CID 141068852

IUPACpentacosa-3,9,11,15-tetraene
SMILESCCC=CCCCCC=CC=CCCC=CCCCCCCCCC
InChIInChI=1S/C25H44/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,17,19-23H,3-4,6,8-16,18,24-25H2,1-2H3
InChIKeyUXRWLQVKULNEIR-UHFFFAOYSA-N
MW344.63 g/mol
LogP9.10
Rot. Bonds18

About pentacosa-3,9,11,15-tetraene

pentacosa-3,9,11,15-tetraene (PubChem CID 141068852) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is pentacosa-3,9,11,15-tetraene.

Molecular Properties

Compound Namepentacosa-3,9,11,15-tetraene
PubChem CID141068852
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Namepentacosa-3,9,11,15-tetraene
SMILESCCC=CCCCCC=CC=CCCC=CCCCCCCCCC
InChIInChI=1S/C25H44/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,17,19-23H,3-4,6,8-16,18,24-25H2,1-2H3
InChIKeyUXRWLQVKULNEIR-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 59.10
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(22E)-heptatetraconta-22,24-diene
CID 56629131
(E)-non-3-ene
CID 5364445
pentadeca-3,5,7,9-tetraene
CID 151958393
(5E,7E)-hexadeca-5,7-diene
CID 13032294

Frequently Asked Questions

What is the IUPAC name of pentacosa-3,9,11,15-tetraene?
The IUPAC name of pentacosa-3,9,11,15-tetraene (CID 141068852) is pentacosa-3,9,11,15-tetraene.
What is the SMILES notation for pentacosa-3,9,11,15-tetraene?
The canonical SMILES for pentacosa-3,9,11,15-tetraene is CCC=CCCCCC=CC=CCCC=CCCCCCCCCC.
What is the InChIKey of pentacosa-3,9,11,15-tetraene?
The InChIKey is UXRWLQVKULNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,17,19-23H,3-4,6,8-16,18,24-25H2,1-2H3.
What are the key properties of pentacosa-3,9,11,15-tetraene?
pentacosa-3,9,11,15-tetraene has a molecular weight of 344.63 g/mol, XLogP of 9.10, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosa-3,9,11,15-tetraene is sourced from PubChem (CID 141068852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).