5-heptan-4-ylidenecyclopenta-1,3-diene

C12H18 — CID 15824856

IUPAC5-heptan-4-ylidenecyclopenta-1,3-diene
SMILESCCCC(CCC)=C1C=CC=C1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-2)12-9-5-6-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyRIOZNNXJCCJTTI-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds4

About 5-heptan-4-ylidenecyclopenta-1,3-diene

5-heptan-4-ylidenecyclopenta-1,3-diene (PubChem CID 15824856) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-heptan-4-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name5-heptan-4-ylidenecyclopenta-1,3-diene
PubChem CID15824856
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-heptan-4-ylidenecyclopenta-1,3-diene
SMILESCCCC(CCC)=C1C=CC=C1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-2)12-9-5-6-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyRIOZNNXJCCJTTI-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-heptan-4-ylidenecyclopenta-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

Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-ylidenecyclopenta-1,3-diene?
The IUPAC name of 5-heptan-4-ylidenecyclopenta-1,3-diene (CID 15824856) is 5-heptan-4-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 5-heptan-4-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 5-heptan-4-ylidenecyclopenta-1,3-diene is CCCC(CCC)=C1C=CC=C1.
What is the InChIKey of 5-heptan-4-ylidenecyclopenta-1,3-diene?
The InChIKey is RIOZNNXJCCJTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-7-11(8-4-2)12-9-5-6-10-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 5-heptan-4-ylidenecyclopenta-1,3-diene?
5-heptan-4-ylidenecyclopenta-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 15824856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).