6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone

C60H82N2O11 — CID 158470346

About 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone

6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone (PubChem CID 158470346) has the molecular formula C60H82N2O11 and a molecular weight of 1007.32 g/mol. Its IUPAC name is 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone.

Molecular Properties

• Compound Name: 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone
• PubChem CID: 158470346
• Molecular Formula: C60H82N2O11
• Molecular Weight: 1007.32 g/mol
• Exact Mass: 1006.59
• IUPAC Name: 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone
• SMILES: CC(C)(C)C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.COC(=O)C1(C(=O)OC)CCN(Cc2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)CC1.O=C(CO)C1(C(=O)CO)CCNCC1
• InChI: InChI=1S/C30H41NO5.C21H26O2.C9H15NO4/c1-29(2,3)24-9-12-25(13-10-24)36-26-11-8-22-18-21(6-7-23(22)19-26)20-31-16-14-30(15-17-31,27(32)34-4)28(33)35-5;1-21(2,3)18-7-10-19(11-8-18)23-20-9-6-16-12-15(14-22)4-5-17(16)13-20;11-5-7(13)9(8(14)6-12)1-3-10-4-2-9/h6-8,11,18-19,24-25H,9-10,12-17,20H2,1-5H3;4-6,9,12-14,18-19H,7-8,10-11H2,1-3H3;10-12H,1-6H2
• InChIKey: HGGRZPZOJGCOOK-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 178.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.32
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone?

The IUPAC name of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone (CID 158470346) is 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone.

What is the SMILES notation for 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone?

The canonical SMILES for 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone is CC(C)(C)C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.COC(=O)C1(C(=O)OC)CCN(Cc2ccc3cc(OC4CCC(C(C)(C)C)CC4)ccc3c2)CC1.O=C(CO)C1(C(=O)CO)CCNCC1.

What is the InChIKey of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone?

The InChIKey is HGGRZPZOJGCOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NO5.C21H26O2.C9H15NO4/c1-29(2,3)24-9-12-25(13-10-24)36-26-11-8-22-18-21(6-7-23(22)19-26)20-31-16-14-30(15-17-31,27(32)34-4)28(33)35-5;1-21(2,3)18-7-10-19(11-8-18)23-20-9-6-16-12-15(14-22)4-5-17(16)13-20;11-5-7(13)9(8(14)6-12)1-3-10-4-2-9/h6-8,11,18-19,24-25H,9-10,12-17,20H2,1-5H3;4-6,9,12-14,18-19H,7-8,10-11H2,1-3H3;10-12H,1-6H2.

What are the key properties of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone?

6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone has a molecular weight of 1007.32 g/mol, XLogP of 9.87, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;dimethyl 1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4,4-dicarboxylate;2-hydroxy-1-[4-(2-hydroxyacetyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 158470346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).