2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate

C20H22O8 — CID 6453519

IUPAC2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)C(=C)C.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C12H18O5.C8H4O3/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3,5-8H2,2,4H3;1-4H
InChIKeyRGQNTHCZFAFRCN-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.24
Rot. Bonds8

About 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate

2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 6453519) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID6453519
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)C(=C)C.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C12H18O5.C8H4O3/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3,5-8H2,2,4H3;1-4H
InChIKeyRGQNTHCZFAFRCN-UHFFFAOYSA-N
XLogP2.24
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 6453519) is 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(=O)C(=C)C.O=C1OC(=O)c2ccccc21.
What is the InChIKey of 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RGQNTHCZFAFRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5.C8H4O3/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4;9-7-5-3-1-2-4-6(5)8(10)11-7/h1,3,5-8H2,2,4H3;1-4H.
What are the key properties of 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 390.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-dione;2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 6453519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).