(1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate

C70H116O15 — CID 158883823

About (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate

(1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate (PubChem CID 158883823) has the molecular formula C70H116O15 and a molecular weight of 1197.68 g/mol. Its IUPAC name is (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate.

Molecular Properties

• Compound Name: (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate
• PubChem CID: 158883823
• Molecular Formula: C70H116O15
• Molecular Weight: 1197.68 g/mol
• Exact Mass: 1196.83
• IUPAC Name: (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate
• SMILES: CC(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CC(C)C(=O)OC(OC1CCCCC1)C(C)(C)C.CC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(C)OC(OC(=O)C(C)C)C(C)C.CCc1ccc(O)cc1.CCc1ccc(O)cc1
• InChI: InChI=1S/C16H30O3.C15H28O3.C12H16O4.C11H22O3.2C8H10O/c1-12(2)15(17)19-14(11-16(3,4)5)18-13-9-7-6-8-10-13;1-11(2)13(16)18-14(15(3,4)5)17-12-9-7-6-8-10-12;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-7(2)10(12)14-11(8(3)4)13-9(5)6;2*1-2-7-3-5-8(9)6-4-7/h12-14H,6-11H2,1-5H3;11-12,14H,6-10H2,1-5H3;5-10H,3-4H2,1-2H3;7-9,11H,1-6H3;2*3-6,9H,2H2,1H3
• InChIKey: JDJBEDJJBOTNFI-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 199.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.68
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate?

The IUPAC name of (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate (CID 158883823) is (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate.

What is the SMILES notation for (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate?

The canonical SMILES for (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate is CC(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CC(C)C(=O)OC(OC1CCCCC1)C(C)(C)C.CC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(C)OC(OC(=O)C(C)C)C(C)C.CCc1ccc(O)cc1.CCc1ccc(O)cc1.

What is the InChIKey of (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate?

The InChIKey is JDJBEDJJBOTNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3.C15H28O3.C12H16O4.C11H22O3.2C8H10O/c1-12(2)15(17)19-14(11-16(3,4)5)18-13-9-7-6-8-10-13;1-11(2)13(16)18-14(15(3,4)5)17-12-9-7-6-8-10-12;1-5(2)11(13)15-9-6-3-7-8(4-6)12(14)16-10(7)9;1-7(2)10(12)14-11(8(3)4)13-9(5)6;2*1-2-7-3-5-8(9)6-4-7/h12-14H,6-11H2,1-5H3;11-12,14H,6-10H2,1-5H3;5-10H,3-4H2,1-2H3;7-9,11H,1-6H3;2*3-6,9H,2H2,1H3.

What are the key properties of (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate?

(1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate has a molecular weight of 1197.68 g/mol, XLogP of 15.84, 18 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1-cyclohexyloxy-3,3-dimethylbutyl) 2-methylpropanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-methylpropanoate;bis(4-ethylphenol);(2-methyl-1-propan-2-yloxypropyl) 2-methylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylpropanoate is sourced from PubChem (CID 158883823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).