[2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)

C79H128O20 — CID 160546031

About [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)

[2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) (PubChem CID 160546031) has the molecular formula C79H128O20 and a molecular weight of 1397.87 g/mol. Its IUPAC name is [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
• PubChem CID: 160546031
• Molecular Formula: C79H128O20
• Molecular Weight: 1397.87 g/mol
• Exact Mass: 1396.90
• IUPAC Name: [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
• SMILES: C=CC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCC(C)(C)C(=O)OC1(C)C=CCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O
• InChI: InChI=1S/2C16H26O3.C15H24O4.C12H20O2.2C10H16O4/c2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h2*11-12,18H,4-10H2,1-3H3;6H,2,5,7-11H2,1,3-4H3;6,8H,5,7,9H2,1-4H3;2*7H,4-6H2,1-3H3
• InChIKey: QXLBFCAPOYXAMX-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 277.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.87
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The IUPAC name of [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) (CID 160546031) is [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate).

What is the SMILES notation for [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) is C=CC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCC(C)(C)C(=O)OC1(C)C=CCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.

What is the InChIKey of [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The InChIKey is QXLBFCAPOYXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26O3.C15H24O4.C12H20O2.2C10H16O4/c2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h2*11-12,18H,4-10H2,1-3H3;6H,2,5,7-11H2,1,3-4H3;6,8H,5,7,9H2,1-4H3;2*7H,4-6H2,1-3H3.

What are the key properties of [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

[2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) has a molecular weight of 1397.87 g/mol, XLogP of 14.74, 21 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-ethenylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopent-2-en-1-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 160546031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).