bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate

C14H10Cl4O4 — CID 70618283

IUPACbis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate
SMILESO=C(OC=CC(Cl)Cl)c1ccccc1C(=O)OC=CC(Cl)Cl
InChIInChI=1S/C14H10Cl4O4/c15-11(16)5-7-21-13(19)9-3-1-2-4-10(9)14(20)22-8-6-12(17)18/h1-8,11-12H
InChIKeyDWNLFKOSZPSJKV-UHFFFAOYSA-N
MW384.04 g/mol
LogP4.64
Rot. Bonds6

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

bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate (PubChem CID 70618283) has the molecular formula C14H10Cl4O4 and a molecular weight of 384.04 g/mol. Its IUPAC name is bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate
PubChem CID70618283
Molecular FormulaC14H10Cl4O4
Molecular Weight384.04 g/mol
Exact Mass381.93
IUPAC Namebis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate
SMILESO=C(OC=CC(Cl)Cl)c1ccccc1C(=O)OC=CC(Cl)Cl
InChIInChI=1S/C14H10Cl4O4/c15-11(16)5-7-21-13(19)9-3-1-2-4-10(9)14(20)22-8-6-12(17)18/h1-8,11-12H
InChIKeyDWNLFKOSZPSJKV-UHFFFAOYSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.04
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-O-acetyl 1-O-(2-acetyloxyethenyl) benzene-1,2-dicarboxylate
CID 174376355
2-(2-acetyloxyethenoxycarbonyl)benzoic acid
CID 174658388
bis(1,1,2,2-tetrachloroethyl) benzene-1,2-dicarboxylate
CID 139714569
phenyl 4,4-dichlorobut-2-enoate
CID 70163713
3-methylbuta-1,3-dienyl 2-hydroxybenzoate
CID 141031106
ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
3-phenylbut-1-enyl acetate
CID 154165575
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
ethene;ethenyl 2-hydroxybenzoate
CID 159926426
dicarboxy benzene-1,2-dicarboxylate
CID 57208478
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate (CID 70618283) is bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate is O=C(OC=CC(Cl)Cl)c1ccccc1C(=O)OC=CC(Cl)Cl.
What is the InChIKey of bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate?
The InChIKey is DWNLFKOSZPSJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O4/c15-11(16)5-7-21-13(19)9-3-1-2-4-10(9)14(20)22-8-6-12(17)18/h1-8,11-12H.
What are the key properties of bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate?
bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate has a molecular weight of 384.04 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-dichloroprop-1-enyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 70618283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).