bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate

C28H32O8 — CID 71579474

IUPACbis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
SMILESO=C(OCC1CCCO1)C1C(c2ccc(O)cc2)C(C(=O)OCC2CCCO2)C1c1ccc(O)cc1
InChIInChI=1S/C28H32O8/c29-19-9-5-17(6-10-19)23-25(27(31)35-15-21-3-1-13-33-21)24(18-7-11-20(30)12-8-18)26(23)28(32)36-16-22-4-2-14-34-22/h5-12,21-26,29-30H,1-4,13-16H2
InChIKeyHWHVDBBSSBHSOU-UHFFFAOYSA-N
MW496.56 g/mol
LogP3.66
Rot. Bonds8

About bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate

bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate (PubChem CID 71579474) has the molecular formula C28H32O8 and a molecular weight of 496.56 g/mol. Its IUPAC name is bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
PubChem CID71579474
Molecular FormulaC28H32O8
Molecular Weight496.56 g/mol
Exact Mass496.21
IUPAC Namebis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
SMILESO=C(OCC1CCCO1)C1C(c2ccc(O)cc2)C(C(=O)OCC2CCCO2)C1c1ccc(O)cc1
InChIInChI=1S/C28H32O8/c29-19-9-5-17(6-10-19)23-25(27(31)35-15-21-3-1-13-33-21)24(18-7-11-20(30)12-8-18)26(23)28(32)36-16-22-4-2-14-34-22/h5-12,21-26,29-30H,1-4,13-16H2
InChIKeyHWHVDBBSSBHSOU-UHFFFAOYSA-N
XLogP3.66
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate?
The IUPAC name of bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate (CID 71579474) is bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate.
What is the SMILES notation for bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate?
The canonical SMILES for bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate is O=C(OCC1CCCO1)C1C(c2ccc(O)cc2)C(C(=O)OCC2CCCO2)C1c1ccc(O)cc1.
What is the InChIKey of bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate?
The InChIKey is HWHVDBBSSBHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O8/c29-19-9-5-17(6-10-19)23-25(27(31)35-15-21-3-1-13-33-21)24(18-7-11-20(30)12-8-18)26(23)28(32)36-16-22-4-2-14-34-22/h5-12,21-26,29-30H,1-4,13-16H2.
What are the key properties of bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate?
bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate has a molecular weight of 496.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxolan-2-ylmethyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate is sourced from PubChem (CID 71579474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).