bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate

C20H22O4 — CID 18996410

IUPACbis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
SMILESC=CCOC(=O)c1ccc(C(=O)OCC=C)c(CC=C)c1CC=C
InChIInChI=1S/C20H22O4/c1-5-9-15-16(10-6-2)18(20(22)24-14-8-4)12-11-17(15)19(21)23-13-7-3/h5-8,11-12H,1-4,9-10,13-14H2
InChIKeyKPKOLKKLVUQVJQ-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.83
Rot. Bonds10

About bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate

bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate (PubChem CID 18996410) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
PubChem CID18996410
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Namebis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
SMILESC=CCOC(=O)c1ccc(C(=O)OCC=C)c(CC=C)c1CC=C
InChIInChI=1S/C20H22O4/c1-5-9-15-16(10-6-2)18(20(22)24-14-8-4)12-11-17(15)19(21)23-13-7-3/h5-8,11-12H,1-4,9-10,13-14H2
InChIKeyKPKOLKKLVUQVJQ-UHFFFAOYSA-N
XLogP3.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate (CID 18996410) is bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate is C=CCOC(=O)c1ccc(C(=O)OCC=C)c(CC=C)c1CC=C.
What is the InChIKey of bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate?
The InChIKey is KPKOLKKLVUQVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-5-9-15-16(10-6-2)18(20(22)24-14-8-4)12-11-17(15)19(21)23-13-7-3/h5-8,11-12H,1-4,9-10,13-14H2.
What are the key properties of bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate?
bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate has a molecular weight of 326.39 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate is sourced from PubChem (CID 18996410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).