1,2,4,5-tetramethylcyclopenta-1,3-diene

C9H14 — CID 2734047

IUPAC1,2,4,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=CC(C)=C(C)C1C
InChIInChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5,8H,1-4H3
InChIKeyDGPNLWCCHIULCZ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds

About 1,2,4,5-tetramethylcyclopenta-1,3-diene

1,2,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 2734047) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1,2,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID2734047
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1,2,4,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=CC(C)=C(C)C1C
InChIInChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5,8H,1-4H3
InChIKeyDGPNLWCCHIULCZ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,5-tetramethylcyclopenta-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 1,2,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1,2,4,5-tetramethylcyclopenta-1,3-diene (CID 2734047) is 1,2,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,4,5-tetramethylcyclopenta-1,3-diene is CC1=CC(C)=C(C)C1C.
What is the InChIKey of 1,2,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is DGPNLWCCHIULCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5,8H,1-4H3.
What are the key properties of 1,2,4,5-tetramethylcyclopenta-1,3-diene?
1,2,4,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 2734047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).