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

C14H15O4+ — CID 174523101

IUPACbis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C.[H+]
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/p+1
InChIKeyQUDWYFHPNIMBFC-UHFFFAOYSA-O
MW247.27 g/mol
LogP2.48
Rot. Bonds6

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

bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron (PubChem CID 174523101) has the molecular formula C14H15O4+ and a molecular weight of 247.27 g/mol. Its IUPAC name is bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron.

Molecular Properties

Compound Namebis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
PubChem CID174523101
Molecular FormulaC14H15O4+
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Namebis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C.[H+]
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/p+1
InChIKeyQUDWYFHPNIMBFC-UHFFFAOYSA-O
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.48
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
CID 8560
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;hydron?
The IUPAC name of bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron (CID 174523101) is bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron.
What is the SMILES notation for bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron?
The canonical SMILES for bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron is C=CCOC(=O)c1ccccc1C(=O)OCC=C.[H+].
What is the InChIKey of bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron?
The InChIKey is QUDWYFHPNIMBFC-UHFFFAOYSA-O. 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/p+1.
What are the key properties of bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron?
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron has a molecular weight of 247.27 g/mol, XLogP of 2.48, 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;hydron is sourced from PubChem (CID 174523101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).