cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate

C107H168N2O11 — CID 158278181

About cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate

cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate (PubChem CID 158278181) has the molecular formula C107H168N2O11 and a molecular weight of 1658.52 g/mol. Its IUPAC name is cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate.

Molecular Properties

• Compound Name: cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
• PubChem CID: 158278181
• Molecular Formula: C107H168N2O11
• Molecular Weight: 1658.52 g/mol
• Exact Mass: 1657.26
• IUPAC Name: cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate
• SMILES: CC(C)C(=O)OC1CCCCC1.CC(C)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.CC(C)CCCc1c[nH]c2ccccc12.CC(C)CCCc1ccccn1.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(OC(=O)C(C)C)c1.Cc1ccc(C(C)C)cc1O.Cc1ccc(C(C)C)cc1OC(=O)C(C)C
• InChI: InChI=1S/C14H19N.C14H20O2.C14H26O2.C14H20O2.C11H17N.C10H18O2.C10H14O.C10H20O.C10H14O/c1-11(2)6-5-7-12-10-15-14-9-4-3-8-13(12)14;1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4;2*1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4;1-10(2)6-5-8-11-7-3-4-9-12-11;1-8(2)10(11)12-9-6-4-3-5-7-9;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-5-4-8(3)6-10(9)11/h3-4,8-11,15H,5-7H2,1-2H3;6-10H,1-5H3;9-13H,6-8H2,1-5H3;6-10H,1-5H3;3-4,7,9-10H,5-6,8H2,1-2H3;8-9H,3-7H2,1-2H3;4-7,11H,1-3H3;7-11H,4-6H2,1-3H3;4-7,11H,1-3H3/t;;11-,12+,13-;;;;;8-,9+,10-;/m..0....1./s1
• InChIKey: GJWLGOUGRNFIGE-ZXSZAEBYSA-N
• XLogP: 28.82
• TPSA: 194.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.52
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate?

The IUPAC name of cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate (CID 158278181) is cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate.

What is the SMILES notation for cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate?

The canonical SMILES for cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate is CC(C)C(=O)OC1CCCCC1.CC(C)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.CC(C)CCCc1c[nH]c2ccccc12.CC(C)CCCc1ccccn1.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(OC(=O)C(C)C)c1.Cc1ccc(C(C)C)cc1O.Cc1ccc(C(C)C)cc1OC(=O)C(C)C.

What is the InChIKey of cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate?

The InChIKey is GJWLGOUGRNFIGE-ZXSZAEBYSA-N. The full InChI is InChI=1S/C14H19N.C14H20O2.C14H26O2.C14H20O2.C11H17N.C10H18O2.C10H14O.C10H20O.C10H14O/c1-11(2)6-5-7-12-10-15-14-9-4-3-8-13(12)14;1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4;2*1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4;1-10(2)6-5-8-11-7-3-4-9-12-11;1-8(2)10(11)12-9-6-4-3-5-7-9;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-5-4-8(3)6-10(9)11/h3-4,8-11,15H,5-7H2,1-2H3;6-10H,1-5H3;9-13H,6-8H2,1-5H3;6-10H,1-5H3;3-4,7,9-10H,5-6,8H2,1-2H3;8-9H,3-7H2,1-2H3;4-7,11H,1-3H3;7-11H,4-6H2,1-3H3;4-7,11H,1-3H3/t;;11-,12+,13-;;;;;8-,9+,10-;/m..0....1./s1.

What are the key properties of cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate?

cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate has a molecular weight of 1658.52 g/mol, XLogP of 28.82, 22 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 2-methylpropanoate;3-(4-methylpentyl)-1H-indole;2-(4-methylpentyl)pyridine;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;(2-methyl-5-propan-2-ylphenyl) 2-methylpropanoate;(5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate is sourced from PubChem (CID 158278181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).