(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate

C78H118O30 — CID 158862008

About (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate

(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate (PubChem CID 158862008) has the molecular formula C78H118O30 and a molecular weight of 1535.77 g/mol. Its IUPAC name is (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
• PubChem CID: 158862008
• Molecular Formula: C78H118O30
• Molecular Weight: 1535.77 g/mol
• Exact Mass: 1534.77
• IUPAC Name: (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OCC(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OC1COC(=O)C1
• InChI: InChI=1S/C18H26O6.C16H24O4.2C12H18O6.2C10H16O4/c1-4-17(2,3)16(21)22-10-14(19)24-18-7-11-5-12(8-18)15(20)23-13(6-11)9-18;1-4-15(2,3)14(18)20-16-7-10-5-11(8-16)13(17)19-12(6-10)9-16;1-4-12(2,3)11(15)17-7-10(14)18-8-5-9(13)16-6-8;1-4-12(2,3)11(15)17-7-9(13)18-8-5-6-16-10(8)14;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h11-13H,4-10H2,1-3H3;10-12H,4-9H2,1-3H3;2*8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3
• InChIKey: JATRSNYNYIYSRK-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 394.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.77
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The IUPAC name of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate (CID 158862008) is (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate.

What is the SMILES notation for (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The canonical SMILES for (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC(C)(C)C(=O)OCC(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)(C)C(=O)OCC(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OC1COC(=O)C1.

What is the InChIKey of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

The InChIKey is JATRSNYNYIYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6.C16H24O4.2C12H18O6.2C10H16O4/c1-4-17(2,3)16(21)22-10-14(19)24-18-7-11-5-12(8-18)15(20)23-13(6-11)9-18;1-4-15(2,3)14(18)20-16-7-10-5-11(8-16)13(17)19-12(6-10)9-16;1-4-12(2,3)11(15)17-7-10(14)18-8-5-9(13)16-6-8;1-4-12(2,3)11(15)17-7-9(13)18-8-5-6-16-10(8)14;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11/h11-13H,4-10H2,1-3H3;10-12H,4-9H2,1-3H3;2*8H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3.

What are the key properties of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate?

(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate has a molecular weight of 1535.77 g/mol, XLogP of 9.44, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate;[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158862008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).