1,2,3,4-tetramethylcyclohexa-1,3-diene

C10H16 — CID 14001368

IUPAC1,2,3,4-tetramethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(C)=C(C)CC1
InChIInChI=1S/C10H16/c1-7-5-6-8(2)10(4)9(7)3/h5-6H2,1-4H3
InChIKeyJJPAXBYLYZUQDL-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds

About 1,2,3,4-tetramethylcyclohexa-1,3-diene

1,2,3,4-tetramethylcyclohexa-1,3-diene (PubChem CID 14001368) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,2,3,4-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetramethylcyclohexa-1,3-diene
PubChem CID14001368
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,2,3,4-tetramethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(C)=C(C)CC1
InChIInChI=1S/C10H16/c1-7-5-6-8(2)10(4)9(7)3/h5-6H2,1-4H3
InChIKeyJJPAXBYLYZUQDL-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4-tetramethylcyclohexa-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 1,2,3,4-tetramethylcyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4-tetramethylcyclohexa-1,3-diene (CID 14001368) is 1,2,3,4-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4-tetramethylcyclohexa-1,3-diene is CC1=C(C)C(C)=C(C)CC1.
What is the InChIKey of 1,2,3,4-tetramethylcyclohexa-1,3-diene?
The InChIKey is JJPAXBYLYZUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-5-6-8(2)10(4)9(7)3/h5-6H2,1-4H3.
What are the key properties of 1,2,3,4-tetramethylcyclohexa-1,3-diene?
1,2,3,4-tetramethylcyclohexa-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 14001368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).