Bisphenol A diglycidyl ether diacrylate

C27H32O8 — CID 92212

IUPAC[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate
SMILESCC(C)(C1=CC=C(C=C1)OCC(COC(=O)C=C)O)C2=CC=C(C=C2)OCC(COC(=O)C=C)O
InChIInChI=1S/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3
InChIKeyVZTQQYMRXDUHDO-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.40
Rot. Bonds16

About Bisphenol A diglycidyl ether diacrylate

Bisphenol A diglycidyl ether diacrylate (PubChem CID 92212) has the molecular formula C27H32O8 and a molecular weight of 484.50 g/mol. Its IUPAC name is [2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate.

Molecular Properties

Compound NameBisphenol A diglycidyl ether diacrylate
PubChem CID92212
Molecular FormulaC27H32O8
Molecular Weight484.50 g/mol
Exact Mass484.21
IUPAC Name[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate
SMILESCC(C)(C1=CC=C(C=C1)OCC(COC(=O)C=C)O)C2=CC=C(C=C2)OCC(COC(=O)C=C)O
InChIInChI=1S/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3
InChIKeyVZTQQYMRXDUHDO-UHFFFAOYSA-N
XLogP4.40
TPSA112.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms35
Complexity619

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bisphenol A diglycidyl ether diacrylate?
The IUPAC name of Bisphenol A diglycidyl ether diacrylate (CID 92212) is [2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] prop-2-enoate.
What is the SMILES notation for Bisphenol A diglycidyl ether diacrylate?
The canonical SMILES for Bisphenol A diglycidyl ether diacrylate is CC(C)(C1=CC=C(C=C1)OCC(COC(=O)C=C)O)C2=CC=C(C=C2)OCC(COC(=O)C=C)O.
What is the InChIKey of Bisphenol A diglycidyl ether diacrylate?
The InChIKey is VZTQQYMRXDUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O8/c1-5-25(30)34-17-21(28)15-32-23-11-7-19(8-12-23)27(3,4)20-9-13-24(14-10-20)33-16-22(29)18-35-26(31)6-2/h5-14,21-22,28-29H,1-2,15-18H2,3-4H3.
What are the key properties of Bisphenol A diglycidyl ether diacrylate?
Bisphenol A diglycidyl ether diacrylate has a molecular weight of 484.50 g/mol, XLogP of 4.40, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Bisphenol A diglycidyl ether diacrylate is sourced from PubChem (CID 92212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).