1-pent-2-enylcyclohexa-1,3-diene

C11H16 — CID 86022408

IUPAC1-pent-2-enylcyclohexa-1,3-diene
SMILESCCC=CCC1=CC=CCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h3-6,9H,2,7-8,10H2,1H3
InChIKeyAIELHXXAVIMENK-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds3

About 1-pent-2-enylcyclohexa-1,3-diene

1-pent-2-enylcyclohexa-1,3-diene (PubChem CID 86022408) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-pent-2-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-pent-2-enylcyclohexa-1,3-diene
PubChem CID86022408
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-pent-2-enylcyclohexa-1,3-diene
SMILESCCC=CCC1=CC=CCC1
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h3-6,9H,2,7-8,10H2,1H3
InChIKeyAIELHXXAVIMENK-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.62
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 1-pent-2-enylcyclohexa-1,3-diene?
The IUPAC name of 1-pent-2-enylcyclohexa-1,3-diene (CID 86022408) is 1-pent-2-enylcyclohexa-1,3-diene.
What is the SMILES notation for 1-pent-2-enylcyclohexa-1,3-diene?
The canonical SMILES for 1-pent-2-enylcyclohexa-1,3-diene is CCC=CCC1=CC=CCC1.
What is the InChIKey of 1-pent-2-enylcyclohexa-1,3-diene?
The InChIKey is AIELHXXAVIMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h3-6,9H,2,7-8,10H2,1H3.
What are the key properties of 1-pent-2-enylcyclohexa-1,3-diene?
1-pent-2-enylcyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-2-enylcyclohexa-1,3-diene is sourced from PubChem (CID 86022408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).