(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate

C101H142Cl6O33 — CID 160663227

About (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate

(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate (PubChem CID 160663227) has the molecular formula C101H142Cl6O33 and a molecular weight of 2096.93 g/mol. Its IUPAC name is (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate.

Molecular Properties

• Compound Name: (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate
• PubChem CID: 160663227
• Molecular Formula: C101H142Cl6O33
• Molecular Weight: 2096.93 g/mol
• Exact Mass: 2092.76
• IUPAC Name: (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate
• SMILES: CCC(Cl)C(=O)OC(C)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(Cl)C(=O)OC(C)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(Cl)C(=O)OC(CC)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(OC(=O)C(C)Cl)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(OC(=O)C(C)Cl)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(OC(=O)C(Cl)CC)OC1C2CC3CC(C2)C(=O)OC1C3
• InChI: InChI=1S/C18H25ClO6.2C17H23ClO6.C17H25ClO5.2C16H23ClO5/c1-3-12(19)17(21)23-13(4-2)18(22)25-15-10-5-9-6-11(8-10)16(20)24-14(15)7-9;1-3-12(18)17(21)22-8(2)15(19)24-14-10-4-9-5-11(7-10)16(20)23-13(14)6-9;1-3-12(22-15(19)8(2)18)17(21)24-14-10-4-9-5-11(7-10)16(20)23-13(14)6-9;1-3-12(18)17(20)23-14(4-2)22-15-10-5-9-6-11(8-10)16(19)21-13(15)7-9;1-3-13(22-15(18)8(2)17)21-14-10-4-9-5-11(7-10)16(19)20-12(14)6-9;1-3-12(17)16(19)21-8(2)20-14-10-4-9-5-11(7-10)15(18)22-13(14)6-9/h9-15H,3-8H2,1-2H3;2*8-14H,3-7H2,1-2H3;9-15H,3-8H2,1-2H3;2*8-14H,3-7H2,1-2H3
• InChIKey: RLYHNKOGAKYUGS-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 422.19 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.93
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate?

The IUPAC name of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate (CID 160663227) is (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate.

What is the SMILES notation for (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate?

The canonical SMILES for (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate is CCC(Cl)C(=O)OC(C)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(Cl)C(=O)OC(C)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(Cl)C(=O)OC(CC)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(OC(=O)C(C)Cl)C(=O)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(OC(=O)C(C)Cl)OC1C2CC3CC(C2)C(=O)OC1C3.CCC(OC(=O)C(Cl)CC)OC1C2CC3CC(C2)C(=O)OC1C3.

What is the InChIKey of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate?

The InChIKey is RLYHNKOGAKYUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO6.2C17H23ClO6.C17H25ClO5.2C16H23ClO5/c1-3-12(19)17(21)23-13(4-2)18(22)25-15-10-5-9-6-11(8-10)16(20)24-14(15)7-9;1-3-12(18)17(21)22-8(2)15(19)24-14-10-4-9-5-11(7-10)16(20)23-13(14)6-9;1-3-12(22-15(19)8(2)18)17(21)24-14-10-4-9-5-11(7-10)16(20)23-13(14)6-9;1-3-12(18)17(20)23-14(4-2)22-15-10-5-9-6-11(8-10)16(19)21-13(15)7-9;1-3-13(22-15(18)8(2)17)21-14-10-4-9-5-11(7-10)16(19)20-12(14)6-9;1-3-12(17)16(19)21-8(2)20-14-10-4-9-5-11(7-10)15(18)22-13(14)6-9/h9-15H,3-8H2,1-2H3;2*8-14H,3-7H2,1-2H3;9-15H,3-8H2,1-2H3;2*8-14H,3-7H2,1-2H3.

What are the key properties of (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate?

(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate has a molecular weight of 2096.93 g/mol, XLogP of 15.33, 32 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chlorobutanoyloxy)butanoate;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl) 2-(2-chloropropanoyloxy)butanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]ethyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chlorobutanoate;1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propyl 2-chloropropanoate;[1-oxo-1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl)oxy]propan-2-yl] 2-chlorobutanoate is sourced from PubChem (CID 160663227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).