(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

C87H144O19 — CID 165102663

About (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (PubChem CID 165102663) has the molecular formula C87H144O19 and a molecular weight of 1494.09 g/mol. Its IUPAC name is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
• PubChem CID: 165102663
• Molecular Formula: C87H144O19
• Molecular Weight: 1494.09 g/mol
• Exact Mass: 1493.03
• IUPAC Name: (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2
• InChI: InChI=1S/C16H30O3.C15H28O2.3C14H20O4.C14H26O2/c1-7-14(2,3)13(17)19-16(10-8-9-11-16)15(4,5)12-18-6;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;3*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h7-12H2,1-6H3;7-11H2,1-6H3;3*7-11H,4-6H2,1-3H3;11H,6-10H2,1-5H3
• InChIKey: YPHSXGBCTVDMDN-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 245.93 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.09
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (CID 165102663) is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

What is the SMILES notation for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The canonical SMILES for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.

What is the InChIKey of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The InChIKey is YPHSXGBCTVDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3.C15H28O2.3C14H20O4.C14H26O2/c1-7-14(2,3)13(17)19-16(10-8-9-11-16)15(4,5)12-18-6;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;3*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h7-12H2,1-6H3;7-11H2,1-6H3;3*7-11H,4-6H2,1-3H3;11H,6-10H2,1-5H3.

What are the key properties of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate has a molecular weight of 1494.09 g/mol, XLogP of 17.96, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 165102663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).