5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene

C17H22 — CID 173216228

IUPAC5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=CC(C)(c2ccccc2)C1C
InChIInChI=1S/C17H22/c1-4-9-15-10-8-13-17(3,14(15)2)16-11-6-5-7-12-16/h5-8,10-14H,4,9H2,1-3H3
InChIKeyRPUTXRJDZYTHTD-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.88
Rot. Bonds3

About 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene

5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene (PubChem CID 173216228) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene
PubChem CID173216228
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=CC(C)(c2ccccc2)C1C
InChIInChI=1S/C17H22/c1-4-9-15-10-8-13-17(3,14(15)2)16-11-6-5-7-12-16/h5-8,10-14H,4,9H2,1-3H3
InChIKeyRPUTXRJDZYTHTD-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,6-dimethyl-5-phenyl-1-propylcyclohexa-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 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene?
The IUPAC name of 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene (CID 173216228) is 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene?
The canonical SMILES for 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene is CCCC1=CC=CC(C)(c2ccccc2)C1C.
What is the InChIKey of 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene?
The InChIKey is RPUTXRJDZYTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-4-9-15-10-8-13-17(3,14(15)2)16-11-6-5-7-12-16/h5-8,10-14H,4,9H2,1-3H3.
What are the key properties of 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene?
5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene has a molecular weight of 226.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene is sourced from PubChem (CID 173216228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).