1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)

C106H213O55P7 — CID 167543544

About 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)

1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate) (PubChem CID 167543544) has the molecular formula C106H213O55P7 and a molecular weight of 2584.63 g/mol. Its IUPAC name is 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate).

Molecular Properties

• Compound Name: 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)
• PubChem CID: 167543544
• Molecular Formula: C106H213O55P7
• Molecular Weight: 2584.63 g/mol
• Exact Mass: 2583.20
• IUPAC Name: 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)
• SMILES: CC(=O)OC(C)(C)C(C)C.CC(=O)OC(C)(C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OC(C)OP(=O)(OC(C)OC(C)=O)OC(C)(C)C(C)C.CC(=O)OC(C)OP(=O)(OC(C)OC(C)=O)OC(C)C(C)C.CC(=O)OCOP(=O)(OCOC(C)=O)OC(C)(C)C(C)C.CC(=O)OCOP(=O)(OCOC(C)=O)OC(C)C(C)C.COC(=O)OCOP(=O)(OCOC(C)=O)OC(C)C(C)C.COP(C)(=O)OC(C)(C)C(C)C.COP(C)(=O)OC(C)C(C)C
• InChI: InChI=1S/C14H27O8P.C13H25O8P.C12H23O8P.C11H21O9P.C11H21O8P.C8H19O3P.2C8H16O2.C7H17O3P.2C7H14O2/c1-9(2)14(7,8)22-23(17,20-12(5)18-10(3)15)21-13(6)19-11(4)16;1-8(2)9(3)19-22(16,20-12(6)17-10(4)14)21-13(7)18-11(5)15;1-9(2)12(5,6)20-21(15,18-7-16-10(3)13)19-8-17-11(4)14;1-8(2)9(3)20-21(14,18-6-16-10(4)12)19-7-17-11(13)15-5;1-8(2)9(3)19-20(14,17-6-15-10(4)12)18-7-16-11(5)13;1-7(2)8(3,4)11-12(6,9)10-5;2*1-6(2)8(4,5)10-7(3)9;1-6(2)7(3)10-11(5,8)9-4;2*1-5(2)6(3)9-7(4)8/h9,12-13H,1-8H3;8-9,12-13H,1-7H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;7H,1-6H3;2*6H,1-5H3;6-7H,1-5H3;2*5-6H,1-4H3
• InChIKey: BMSPLWIVMLBGKP-UHFFFAOYSA-N
• XLogP: 26.28
• TPSA: 672.29 Ų
• H-Bond Acceptors: 55
• Rotatable Bonds: 61
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2584.63
LogP ≤ 5	26.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)?

The IUPAC name of 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate) (CID 167543544) is 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate).

What is the SMILES notation for 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)?

The canonical SMILES for 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate) is CC(=O)OC(C)(C)C(C)C.CC(=O)OC(C)(C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OC(C)OP(=O)(OC(C)OC(C)=O)OC(C)(C)C(C)C.CC(=O)OC(C)OP(=O)(OC(C)OC(C)=O)OC(C)C(C)C.CC(=O)OCOP(=O)(OCOC(C)=O)OC(C)(C)C(C)C.CC(=O)OCOP(=O)(OCOC(C)=O)OC(C)C(C)C.COC(=O)OCOP(=O)(OCOC(C)=O)OC(C)C(C)C.COP(C)(=O)OC(C)(C)C(C)C.COP(C)(=O)OC(C)C(C)C.

What is the InChIKey of 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)?

The InChIKey is BMSPLWIVMLBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O8P.C13H25O8P.C12H23O8P.C11H21O9P.C11H21O8P.C8H19O3P.2C8H16O2.C7H17O3P.2C7H14O2/c1-9(2)14(7,8)22-23(17,20-12(5)18-10(3)15)21-13(6)19-11(4)16;1-8(2)9(3)19-22(16,20-12(6)17-10(4)14)21-13(7)18-11(5)15;1-9(2)12(5,6)20-21(15,18-7-16-10(3)13)19-8-17-11(4)14;1-8(2)9(3)20-21(14,18-6-16-10(4)12)19-7-17-11(13)15-5;1-8(2)9(3)19-20(14,17-6-15-10(4)12)18-7-16-11(5)13;1-7(2)8(3,4)11-12(6,9)10-5;2*1-6(2)8(4,5)10-7(3)9;1-6(2)7(3)10-11(5,8)9-4;2*1-5(2)6(3)9-7(4)8/h9,12-13H,1-8H3;8-9,12-13H,1-7H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;7H,1-6H3;2*6H,1-5H3;6-7H,1-5H3;2*5-6H,1-4H3.

What are the key properties of 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate)?

1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate) has a molecular weight of 2584.63 g/mol, XLogP of 26.28, 61 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-acetyloxyethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxyethyl acetate;1-[1-acetyloxyethoxy(3-methylbutan-2-yloxy)phosphoryl]oxyethyl acetate;[acetyloxymethoxy(2,3-dimethylbutan-2-yloxy)phosphoryl]oxymethyl acetate;[acetyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;bis(2,3-dimethylbutan-2-yl acetate);[methoxycarbonyloxymethoxy(3-methylbutan-2-yloxy)phosphoryl]oxymethyl acetate;2-[methoxy(methyl)phosphoryl]oxy-2,3-dimethylbutane;2-[methoxy(methyl)phosphoryl]oxy-3-methylbutane;bis(3-methylbutan-2-yl acetate) is sourced from PubChem (CID 167543544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).