(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane

C57H100O5 — CID 159023786

About (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane

(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane (PubChem CID 159023786) has the molecular formula C57H100O5 and a molecular weight of 865.42 g/mol. Its IUPAC name is (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane.

Molecular Properties

• Compound Name: (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
• PubChem CID: 159023786
• Molecular Formula: C57H100O5
• Molecular Weight: 865.42 g/mol
• Exact Mass: 864.76
• IUPAC Name: (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
• SMILES: CC1CCC(OC(=O)C2CCC(C)CC2)CC1.CC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1
• InChI: InChI=1S/C21H36O2.C21H38O.C15H26O2/c1-15-3-7-17(8-4-15)18-9-11-19(12-10-18)21(22)23-20-13-5-16(2)6-14-20;1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14/h15-20H,3-14H2,1-2H3;16-21H,3-15H2,1-2H3;11-14H,3-10H2,1-2H3
• InChIKey: JUAPXTUGCMCMSR-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.42
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane?

The IUPAC name of (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane (CID 159023786) is (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane.

What is the SMILES notation for (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane?

The canonical SMILES for (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane is CC1CCC(OC(=O)C2CCC(C)CC2)CC1.CC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1.

What is the InChIKey of (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane?

The InChIKey is JUAPXTUGCMCMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2.C21H38O.C15H26O2/c1-15-3-7-17(8-4-15)18-9-11-19(12-10-18)21(22)23-20-13-5-16(2)6-14-20;1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14/h15-20H,3-14H2,1-2H3;16-21H,3-15H2,1-2H3;11-14H,3-10H2,1-2H3.

What are the key properties of (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane?

(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane has a molecular weight of 865.42 g/mol, XLogP of 15.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane is sourced from PubChem (CID 159023786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).