[(1E)-penta-1,4-dienyl]cyclohexane

C11H18 — CID 5358332

IUPAC[(1E)-penta-1,4-dienyl]cyclohexane
SMILESC=CC/C=C/C1CCCCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h2,5,8,11H,1,3-4,6-7,9-10H2/b8-5+
InChIKeyCUQCOYUMFQWPCD-VMPITWQZSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds3

About [(1E)-penta-1,4-dienyl]cyclohexane

[(1E)-penta-1,4-dienyl]cyclohexane (PubChem CID 5358332) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is [(1E)-penta-1,4-dienyl]cyclohexane.

Molecular Properties

Compound Name[(1E)-penta-1,4-dienyl]cyclohexane
PubChem CID5358332
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name[(1E)-penta-1,4-dienyl]cyclohexane
SMILESC=CC/C=C/C1CCCCC1
InChIInChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h2,5,8,11H,1,3-4,6-7,9-10H2/b8-5+
InChIKeyCUQCOYUMFQWPCD-VMPITWQZSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-penta-1,4-dienyl]cyclohexane?
The IUPAC name of [(1E)-penta-1,4-dienyl]cyclohexane (CID 5358332) is [(1E)-penta-1,4-dienyl]cyclohexane.
What is the SMILES notation for [(1E)-penta-1,4-dienyl]cyclohexane?
The canonical SMILES for [(1E)-penta-1,4-dienyl]cyclohexane is C=CC/C=C/C1CCCCC1.
What is the InChIKey of [(1E)-penta-1,4-dienyl]cyclohexane?
The InChIKey is CUQCOYUMFQWPCD-VMPITWQZSA-N. The full InChI is InChI=1S/C11H18/c1-2-3-5-8-11-9-6-4-7-10-11/h2,5,8,11H,1,3-4,6-7,9-10H2/b8-5+.
What are the key properties of [(1E)-penta-1,4-dienyl]cyclohexane?
[(1E)-penta-1,4-dienyl]cyclohexane has a molecular weight of 150.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-penta-1,4-dienyl]cyclohexane is sourced from PubChem (CID 5358332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).