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

C23H24O4 — CID 70559251

IUPACbis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C.C=CCc1ccccc1
InChIInChI=1S/C14H14O4.C9H10/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2;1-2-6-9-7-4-3-5-8-9/h3-8H,1-2,9-10H2;2-5,7-8H,1,6H2
InChIKeyBSYMUHOAKXNLEF-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.79
Rot. Bonds8

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

bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene (PubChem CID 70559251) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene.

Molecular Properties

Compound Namebis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
PubChem CID70559251
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Namebis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
SMILESC=CCOC(=O)c1ccccc1C(=O)OCC=C.C=CCc1ccccc1
InChIInChI=1S/C14H14O4.C9H10/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2;1-2-6-9-7-4-3-5-8-9/h3-8H,1-2,9-10H2;2-5,7-8H,1,6H2
InChIKeyBSYMUHOAKXNLEF-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226
prop-2-enylbenzene
CID 159998516
bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
CID 18996410
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-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene?
The IUPAC name of bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene (CID 70559251) is bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene.
What is the SMILES notation for bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene?
The canonical SMILES for bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene is C=CCOC(=O)c1ccccc1C(=O)OCC=C.C=CCc1ccccc1.
What is the InChIKey of bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene?
The InChIKey is BSYMUHOAKXNLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4.C9H10/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2;1-2-6-9-7-4-3-5-8-9/h3-8H,1-2,9-10H2;2-5,7-8H,1,6H2.
What are the key properties of bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene?
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene has a molecular weight of 364.44 g/mol, XLogP of 4.79, 8 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;prop-2-enylbenzene is sourced from PubChem (CID 70559251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).