Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde

C₅₅H₆₉F₆NO₇ — CID 158421051

About Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde

Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde (PubChem CID 158421051) has the molecular formula C₅₅H₆₉F₆NO₇ and a molecular weight of 970.14 g/mol. Its IUPAC name is ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde.

Molecular Properties

• Compound Name: Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde
• PubChem CID: 158421051
• Molecular Formula: C₅₅H₆₉F₆NO₇
• Molecular Weight: 970.14 g/mol
• Exact Mass: 969.50
• IUPAC Name: ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde
• SMILES: CC1CCC(Oc2ccc3cccc(C=O)c3c2C(F)(F)F)CC1.CCOC(=O)C1CCCCC1.CCOC(=O)C1CCN(Cc2cccc3ccc(OC4CCC(C)CC4)c(C(F)(F)F)c23)CC1
• InChI: InChI=1S/C27H34F3NO3.C19H19F3O2.C9H16O2/c1-3-33-26(32)20-13-15-31(16-14-20)17-21-6-4-5-19-9-12-23(25(24(19)21)27(28,29)30)34-22-10-7-18(2)8-11-22;1-12-5-8-15(9-6-12)24-16-10-7-13-3-2-4-14(11-23)17(13)18(16)19(20,21)22;1-2-11-9(10)8-6-4-3-5-7-8/h4-6,9,12,18,20,22H,3,7-8,10-11,13-17H2,1-2H3;2-4,7,10-12,15H,5-6,8-9H2,1H3;8H,2-7H2,1H3
• InChIKey: HAMMYKDKQBADHJ-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 91.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.14
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde?

The IUPAC name of Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde (CID 158421051) is ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde.

What is the SMILES notation for Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde?

The canonical SMILES for Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde is CC1CCC(Oc2ccc3cccc(C=O)c3c2C(F)(F)F)CC1.CCOC(=O)C1CCCCC1.CCOC(=O)C1CCN(Cc2cccc3ccc(OC4CCC(C)CC4)c(C(F)(F)F)c23)CC1.

What is the InChIKey of Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde?

The InChIKey is HAMMYKDKQBADHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3NO3.C19H19F3O2.C9H16O2/c1-3-33-26(32)20-13-15-31(16-14-20)17-21-6-4-5-19-9-12-23(25(24(19)21)27(28,29)30)34-22-10-7-18(2)8-11-22;1-12-5-8-15(9-6-12)24-16-10-7-13-3-2-4-14(11-23)17(13)18(16)19(20,21)22;1-2-11-9(10)8-6-4-3-5-7-8/h4-6,9,12,18,20,22H,3,7-8,10-11,13-17H2,1-2H3;2-4,7,10-12,15H,5-6,8-9H2,1H3;8H,2-7H2,1H3.

What are the key properties of Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde?

Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde has a molecular weight of 970.14 g/mol, XLogP of 14.35, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl cyclohexanecarboxylate;ethyl 1-[[7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalen-1-yl]methyl]piperidine-4-carboxylate;7-(4-methylcyclohexyl)oxy-8-(trifluoromethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 158421051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158421051 — identifiers, structure, computed properties (public domain)

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