1-methyl-4-(4-propylcyclohexyl)cyclohexane

C16H30 — CID 543958

IUPAC1-methyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H30/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h13-16H,3-12H2,1-2H3
InChIKeyGXLOSSKAKQGKJC-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds3

About 1-methyl-4-(4-propylcyclohexyl)cyclohexane

1-methyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 543958) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-methyl-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(4-propylcyclohexyl)cyclohexane
PubChem CID543958
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-methyl-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H30/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h13-16H,3-12H2,1-2H3
InChIKeyGXLOSSKAKQGKJC-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-(4-propylcyclohexyl)cyclohexane 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-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171
3-propylbicyclo[4.2.0]octane
CID 145186098

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-methyl-4-(4-propylcyclohexyl)cyclohexane (CID 543958) is 1-methyl-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is GXLOSSKAKQGKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propylcyclohexyl)cyclohexane?
1-methyl-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 543958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).