1,3-dicyclohexyl-2,5-dimethylbenzene

C20H30 — CID 91568948

IUPAC1,3-dicyclohexyl-2,5-dimethylbenzene
SMILESCc1cc(C2CCCCC2)c(C)c(C2CCCCC2)c1
InChIInChI=1S/C20H30/c1-15-13-19(17-9-5-3-6-10-17)16(2)20(14-15)18-11-7-4-8-12-18/h13-14,17-18H,3-12H2,1-2H3
InChIKeyAQCGHFUTVHGGHG-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.40
Rot. Bonds2

About 1,3-dicyclohexyl-2,5-dimethylbenzene

1,3-dicyclohexyl-2,5-dimethylbenzene (PubChem CID 91568948) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,3-dicyclohexyl-2,5-dimethylbenzene
PubChem CID91568948
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1,3-dicyclohexyl-2,5-dimethylbenzene
SMILESCc1cc(C2CCCCC2)c(C)c(C2CCCCC2)c1
InChIInChI=1S/C20H30/c1-15-13-19(17-9-5-3-6-10-17)16(2)20(14-15)18-11-7-4-8-12-18/h13-14,17-18H,3-12H2,1-2H3
InChIKeyAQCGHFUTVHGGHG-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dicyclohexyl-2,5-dimethylbenzene 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 1,3-dicyclohexyl-2,5-dimethylbenzene?
The IUPAC name of 1,3-dicyclohexyl-2,5-dimethylbenzene (CID 91568948) is 1,3-dicyclohexyl-2,5-dimethylbenzene.
What is the SMILES notation for 1,3-dicyclohexyl-2,5-dimethylbenzene?
The canonical SMILES for 1,3-dicyclohexyl-2,5-dimethylbenzene is Cc1cc(C2CCCCC2)c(C)c(C2CCCCC2)c1.
What is the InChIKey of 1,3-dicyclohexyl-2,5-dimethylbenzene?
The InChIKey is AQCGHFUTVHGGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-15-13-19(17-9-5-3-6-10-17)16(2)20(14-15)18-11-7-4-8-12-18/h13-14,17-18H,3-12H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-2,5-dimethylbenzene?
1,3-dicyclohexyl-2,5-dimethylbenzene has a molecular weight of 270.46 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2,5-dimethylbenzene is sourced from PubChem (CID 91568948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).