4-ethylideneundeca-1,5,7,9-tetraene

C13H18 — CID 151010728

IUPAC4-ethylideneundeca-1,5,7,9-tetraene
SMILESC=CCC(C=CC=CC=CC)=CC
InChIInChI=1S/C13H18/c1-4-7-8-9-10-12-13(6-3)11-5-2/h4-10,12H,2,11H2,1,3H3
InChIKeyLWAOPDKJLFCHSC-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.20
Rot. Bonds5

About 4-ethylideneundeca-1,5,7,9-tetraene

4-ethylideneundeca-1,5,7,9-tetraene (PubChem CID 151010728) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-ethylideneundeca-1,5,7,9-tetraene.

Molecular Properties

Compound Name4-ethylideneundeca-1,5,7,9-tetraene
PubChem CID151010728
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name4-ethylideneundeca-1,5,7,9-tetraene
SMILESC=CCC(C=CC=CC=CC)=CC
InChIInChI=1S/C13H18/c1-4-7-8-9-10-12-13(6-3)11-5-2/h4-10,12H,2,11H2,1,3H3
InChIKeyLWAOPDKJLFCHSC-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylideneundeca-1,5,7,9-tetraene?
The IUPAC name of 4-ethylideneundeca-1,5,7,9-tetraene (CID 151010728) is 4-ethylideneundeca-1,5,7,9-tetraene.
What is the SMILES notation for 4-ethylideneundeca-1,5,7,9-tetraene?
The canonical SMILES for 4-ethylideneundeca-1,5,7,9-tetraene is C=CCC(C=CC=CC=CC)=CC.
What is the InChIKey of 4-ethylideneundeca-1,5,7,9-tetraene?
The InChIKey is LWAOPDKJLFCHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-7-8-9-10-12-13(6-3)11-5-2/h4-10,12H,2,11H2,1,3H3.
What are the key properties of 4-ethylideneundeca-1,5,7,9-tetraene?
4-ethylideneundeca-1,5,7,9-tetraene has a molecular weight of 174.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylideneundeca-1,5,7,9-tetraene is sourced from PubChem (CID 151010728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).