1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C22H34 — CID 576378

IUPAC1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H34/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3
InChIKeySDESCXGEQILYTQ-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.88
Rot. Bonds4

About 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 576378) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID576378
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C22H34/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3
InChIKeySDESCXGEQILYTQ-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 576378) is 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is SDESCXGEQILYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 298.51 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 576378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).