2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate

C36H44O24 — CID 169079286

IUPAC2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
SMILESCCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OCC(COC(=O)CC1OC(=O)OC1CC1OC(=O)OC1CC)OC(=O)CC1OC(=O)OC1CC1OC(=O)OC1CC
InChIInChI=1S/C36H44O24/c1-4-16-19(52-31(40)49-16)7-22-25(58-34(43)55-22)10-28(37)46-13-15(48-30(39)12-27-24(57-36(45)60-27)9-21-18(6-3)51-33(42)54-21)14-47-29(38)11-26-23(56-35(44)59-26)8-20-17(5-2)50-32(41)53-20/h15-27H,4-14H2,1-3H3
InChIKeyIHAKEJXLIZUQTQ-UHFFFAOYSA-N
MW860.72 g/mol
LogP2.98
Rot. Bonds20

About 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate

2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate (PubChem CID 169079286) has the molecular formula C36H44O24 and a molecular weight of 860.72 g/mol. Its IUPAC name is 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Name2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
PubChem CID169079286
Molecular FormulaC36H44O24
Molecular Weight860.72 g/mol
Exact Mass860.22
IUPAC Name2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate
SMILESCCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OCC(COC(=O)CC1OC(=O)OC1CC1OC(=O)OC1CC)OC(=O)CC1OC(=O)OC1CC1OC(=O)OC1CC
InChIInChI=1S/C36H44O24/c1-4-16-19(52-31(40)49-16)7-22-25(58-34(43)55-22)10-28(37)46-13-15(48-30(39)12-27-24(57-36(45)60-27)9-21-18(6-3)51-33(42)54-21)14-47-29(38)11-26-23(56-35(44)59-26)8-20-17(5-2)50-32(41)53-20/h15-27H,4-14H2,1-3H3
InChIKeyIHAKEJXLIZUQTQ-UHFFFAOYSA-N
XLogP2.98
TPSA292.08 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The IUPAC name of 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate (CID 169079286) is 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate is CCC1OC(=O)OC1CC1OC(=O)OC1CC(=O)OCC(COC(=O)CC1OC(=O)OC1CC1OC(=O)OC1CC)OC(=O)CC1OC(=O)OC1CC1OC(=O)OC1CC.
What is the InChIKey of 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
The InChIKey is IHAKEJXLIZUQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44O24/c1-4-16-19(52-31(40)49-16)7-22-25(58-34(43)55-22)10-28(37)46-13-15(48-30(39)12-27-24(57-36(45)60-27)9-21-18(6-3)51-33(42)54-21)14-47-29(38)11-26-23(56-35(44)59-26)8-20-17(5-2)50-32(41)53-20/h15-27H,4-14H2,1-3H3.
What are the key properties of 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate?
2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate has a molecular weight of 860.72 g/mol, XLogP of 2.98, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[[2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetyl]oxy]propyl 2-[5-[(5-ethyl-2-oxo-1,3-dioxolan-4-yl)methyl]-2-oxo-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 169079286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).