bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate

C20H26O4 — CID 91698045

IUPACbis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate
SMILESCC/C=C\CCOC(=O)c1cccc(C(=O)OCC/C=C\CC)c1
InChIInChI=1S/C20H26O4/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h5-8,11-13,16H,3-4,9-10,14-15H2,1-2H3/b7-5-,8-6-
InChIKeyWZABUZCDGHEXSO-SFECMWDFSA-N
MW330.42 g/mol
LogP4.71
Rot. Bonds10

About bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate

bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate (PubChem CID 91698045) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate
PubChem CID91698045
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Namebis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate
SMILESCC/C=C\CCOC(=O)c1cccc(C(=O)OCC/C=C\CC)c1
InChIInChI=1S/C20H26O4/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h5-8,11-13,16H,3-4,9-10,14-15H2,1-2H3/b7-5-,8-6-
InChIKeyWZABUZCDGHEXSO-SFECMWDFSA-N
XLogP4.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate 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

diethyl benzene-1,3-dicarboxylate
CID 12491
ditetradecyl benzene-1,3-dicarboxylate
CID 102084318
propyl 3-acetylbenzoate
CID 153251461
[(E)-hept-4-enyl] 4-hydroxybenzoate
CID 101322234
1-O-heptyl 2-O-[(E)-hex-3-enyl] benzene-1,2-dicarboxylate
CID 91719883
bis(3-methylbutyl) benzene-1,3-dicarboxylate
CID 69420045
3-O-octyl 1-O-propyl benzene-1,3-dicarboxylate
CID 91734111
3-O-propanoyl 1-O-propyl benzene-1,3-dicarboxylate
CID 175115088
butyl 3-carbamoylbenzoate
CID 112725414
bis(3-methylpentyl) benzene-1,3-dicarboxylate
CID 67161864
3-[4-(3-carboxybenzoyl)oxybutoxycarbonyl]benzoic acid
CID 22226160
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate?
The IUPAC name of bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate (CID 91698045) is bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate.
What is the SMILES notation for bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate?
The canonical SMILES for bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate is CC/C=C\CCOC(=O)c1cccc(C(=O)OCC/C=C\CC)c1.
What is the InChIKey of bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate?
The InChIKey is WZABUZCDGHEXSO-SFECMWDFSA-N. The full InChI is InChI=1S/C20H26O4/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h5-8,11-13,16H,3-4,9-10,14-15H2,1-2H3/b7-5-,8-6-.
What are the key properties of bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate?
bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate has a molecular weight of 330.42 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-hex-3-enyl] benzene-1,3-dicarboxylate is sourced from PubChem (CID 91698045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).