5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene

C11H14 — CID 143896906

IUPAC5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
SMILESC/C=C\C=CC1C=CC=CC1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-9,11H,10H2,1H3/b3-2-,8-5?
InChIKeyYMVFVKSYWNEUCC-GZQNCEGOSA-N
MW146.23 g/mol
LogP3.25
Rot. Bonds2

About 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene

5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene (PubChem CID 143896906) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
PubChem CID143896906
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
SMILESC/C=C\C=CC1C=CC=CC1
InChIInChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-9,11H,10H2,1H3/b3-2-,8-5?
InChIKeyYMVFVKSYWNEUCC-GZQNCEGOSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene (CID 143896906) is 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene is C/C=C\C=CC1C=CC=CC1.
What is the InChIKey of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
The InChIKey is YMVFVKSYWNEUCC-GZQNCEGOSA-N. The full InChI is InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2-9,11H,10H2,1H3/b3-2-,8-5?.
What are the key properties of 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene?
5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 143896906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).