2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)

C18H26O13 — CID 69164105

IUPAC2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OC1COC(=O)O1.OCCOCCO
InChIInChI=1S/2C7H8O5.C4H10O3/c2*1-4(2)6(8)11-5-3-10-7(9)12-5;5-1-3-7-4-2-6/h2*5H,1,3H2,2H3;5-6H,1-4H2
InChIKeyRVYNYTJXPZTGTB-UHFFFAOYSA-N
MW450.39 g/mol
LogP0.18
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)

2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate) (PubChem CID 69164105) has the molecular formula C18H26O13 and a molecular weight of 450.39 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate).

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)
PubChem CID69164105
Molecular FormulaC18H26O13
Molecular Weight450.39 g/mol
Exact Mass450.14
IUPAC Name2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OC1COC(=O)O1.OCCOCCO
InChIInChI=1S/2C7H8O5.C4H10O3/c2*1-4(2)6(8)11-5-3-10-7(9)12-5;5-1-3-7-4-2-6/h2*5H,1,3H2,2H3;5-6H,1-4H2
InChIKeyRVYNYTJXPZTGTB-UHFFFAOYSA-N
XLogP0.18
TPSA173.35 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate) (CID 69164105) is 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate).
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate) is C=C(C)C(=O)OC1COC(=O)O1.C=C(C)C(=O)OC1COC(=O)O1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)?
The InChIKey is RVYNYTJXPZTGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O5.C4H10O3/c2*1-4(2)6(8)11-5-3-10-7(9)12-5;5-1-3-7-4-2-6/h2*5H,1,3H2,2H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate)?
2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate) has a molecular weight of 450.39 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;bis((2-oxo-1,3-dioxolan-4-yl) 2-methylprop-2-enoate) is sourced from PubChem (CID 69164105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).