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

C14H14O4 — CID 8560

IUPACbis(prop-2-enyl) benzene-1,2-dicarboxylate
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C
InChIInChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChIKeyQUDWYFHPNIMBFC-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.37
Rot. Bonds6

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

bis(prop-2-enyl) benzene-1,2-dicarboxylate (PubChem CID 8560) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is bis(prop-2-enyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) benzene-1,2-dicarboxylate
PubChem CID8560
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namebis(prop-2-enyl) benzene-1,2-dicarboxylate
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C
InChIInChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChIKeyQUDWYFHPNIMBFC-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
1-O-(2-buta-1,3-dien-2-yloxyethyl) 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 89020444
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
prop-2-enyl 2-sulfooxybenzoate
CID 175173068
bis(prop-2-enyl) benzene-1,2-dicarboxylate;1,2,3-tri(propan-2-yl)benzene
CID 66794304
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) benzene-1,2-dicarboxylate (CID 8560) is bis(prop-2-enyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) benzene-1,2-dicarboxylate is C=CCOC(=O)c1ccccc1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) benzene-1,2-dicarboxylate?
The InChIKey is QUDWYFHPNIMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2.
What are the key properties of bis(prop-2-enyl) benzene-1,2-dicarboxylate?
bis(prop-2-enyl) benzene-1,2-dicarboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 8560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).