1-[(E)-pent-2-enyl]cyclohexa-1,3-diene

C11H16 — CID 101409014

IUPAC1-[(E)-pent-2-enyl]cyclohexa-1,3-diene
SMILESCC/C=C/CC1=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/b5-3+
InChIKeyAIELHXXAVIMENK-HWKANZROSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds3

About 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene

1-[(E)-pent-2-enyl]cyclohexa-1,3-diene (PubChem CID 101409014) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(E)-pent-2-enyl]cyclohexa-1,3-diene
PubChem CID101409014
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-[(E)-pent-2-enyl]cyclohexa-1,3-diene
SMILESCC/C=C/CC1=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/b5-3+
InChIKeyAIELHXXAVIMENK-HWKANZROSA-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'}

Analyze 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Terpinolene
CID 11463
Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
Vinylcyclohexene
CID 17497
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658
1,3,5-Undecatriene
CID 61832

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene?
The IUPAC name of 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene (CID 101409014) is 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene is CC/C=C/CC1=CC=CCC1.
What is the InChIKey of 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene?
The InChIKey is AIELHXXAVIMENK-HWKANZROSA-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/b5-3+.
What are the key properties of 1-[(E)-pent-2-enyl]cyclohexa-1,3-diene?
1-[(E)-pent-2-enyl]cyclohexa-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-[(E)-pent-2-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 101409014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).