bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate

C20H26O8 — CID 165344136

IUPACbis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
SMILESCC1(C)OCC(COC(=O)c2ccccc2C(=O)OCC2COC(C)(C)O2)O1
InChIInChI=1S/C20H26O8/c1-19(2)25-11-13(27-19)9-23-17(21)15-7-5-6-8-16(15)18(22)24-10-14-12-26-20(3,4)28-14/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPYRIOSXCKGCWGL-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.30
Rot. Bonds6

About bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate

bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate (PubChem CID 165344136) has the molecular formula C20H26O8 and a molecular weight of 394.42 g/mol. Its IUPAC name is bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
PubChem CID165344136
Molecular FormulaC20H26O8
Molecular Weight394.42 g/mol
Exact Mass394.16
IUPAC Namebis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
SMILESCC1(C)OCC(COC(=O)c2ccccc2C(=O)OCC2COC(C)(C)O2)O1
InChIInChI=1S/C20H26O8/c1-19(2)25-11-13(27-19)9-23-17(21)15-7-5-6-8-16(15)18(22)24-10-14-12-26-20(3,4)28-14/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPYRIOSXCKGCWGL-UHFFFAOYSA-N
XLogP2.30
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate?
The IUPAC name of bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate (CID 165344136) is bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate.
What is the SMILES notation for bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate?
The canonical SMILES for bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate is CC1(C)OCC(COC(=O)c2ccccc2C(=O)OCC2COC(C)(C)O2)O1.
What is the InChIKey of bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate?
The InChIKey is PYRIOSXCKGCWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O8/c1-19(2)25-11-13(27-19)9-23-17(21)15-7-5-6-8-16(15)18(22)24-10-14-12-26-20(3,4)28-14/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate?
bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate has a molecular weight of 394.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 165344136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).