1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

C22H36 — CID 155784456

IUPAC1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(C3=CC=C(C)CC3)CC2)CC1
InChIInChI=1S/C22H36/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/h5,9,18,20-22H,3-4,6-8,10-16H2,1-2H3
InChIKeyRYMCUECPJVIHGU-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.07
Rot. Bonds4

About 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 155784456) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
PubChem CID155784456
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(C3=CC=C(C)CC3)CC2)CC1
InChIInChI=1S/C22H36/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/h5,9,18,20-22H,3-4,6-8,10-16H2,1-2H3
InChIKeyRYMCUECPJVIHGU-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-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

Related Compounds

1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 138493357
4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene
CID 126627033
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene
CID 143775690
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (CID 155784456) is 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is CCCC1CCC(C2CCC(C3=CC=C(C)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is RYMCUECPJVIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/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/h5,9,18,20-22H,3-4,6-8,10-16H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 300.53 g/mol, XLogP of 7.07, 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]cyclohexa-1,3-diene is sourced from PubChem (CID 155784456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).