(4E)-undeca-1,4-diene

C11H20 — CID 5358328

IUPAC(4E)-undeca-1,4-diene
SMILESC=CC/C=C/CCCCCC
InChIInChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+
InChIKeyKHZYHTLTISWFGH-VQHVLOKHSA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds7

About (4E)-undeca-1,4-diene

(4E)-undeca-1,4-diene (PubChem CID 5358328) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (4E)-undeca-1,4-diene.

Molecular Properties

Compound Name(4E)-undeca-1,4-diene
PubChem CID5358328
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(4E)-undeca-1,4-diene
SMILESC=CC/C=C/CCCCCC
InChIInChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+
InChIKeyKHZYHTLTISWFGH-VQHVLOKHSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of (4E)-undeca-1,4-diene?
The IUPAC name of (4E)-undeca-1,4-diene (CID 5358328) is (4E)-undeca-1,4-diene.
What is the SMILES notation for (4E)-undeca-1,4-diene?
The canonical SMILES for (4E)-undeca-1,4-diene is C=CC/C=C/CCCCCC.
What is the InChIKey of (4E)-undeca-1,4-diene?
The InChIKey is KHZYHTLTISWFGH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+.
What are the key properties of (4E)-undeca-1,4-diene?
(4E)-undeca-1,4-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-undeca-1,4-diene is sourced from PubChem (CID 5358328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).