1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene

C12H20 — CID 22327806

IUPAC1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)CC(C)(C)C1=CC=CC1
InChIInChI=1S/C12H20/c1-10(2)9-12(3,4)11-7-5-6-8-11/h5-7,10H,8-9H2,1-4H3
InChIKeyRGHCWQXJZVBIAI-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene

1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene (PubChem CID 22327806) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene
PubChem CID22327806
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)CC(C)(C)C1=CC=CC1
InChIInChI=1S/C12H20/c1-10(2)9-12(3,4)11-7-5-6-8-11/h5-7,10H,8-9H2,1-4H3
InChIKeyRGHCWQXJZVBIAI-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,4-dimethylpentan-2-yl)cyclopenta-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 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene (CID 22327806) is 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene is CC(C)CC(C)(C)C1=CC=CC1.
What is the InChIKey of 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene?
The InChIKey is RGHCWQXJZVBIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)9-12(3,4)11-7-5-6-8-11/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene?
1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 22327806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).