ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)

C18H6Cl8N2O4 — CID 118195440

IUPACethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)
SMILESC=C.O=C1c2cc(Cl)c(Cl)c(Cl)c2C(=O)N1Cl.O=C1c2cc(Cl)c(Cl)c(Cl)c2C(=O)N1Cl
InChIInChI=1S/2C8HCl4NO2.C2H4/c2*9-3-1-2-4(6(11)5(3)10)8(15)13(12)7(2)14;1-2/h2*1H;1-2H2
InChIKeyRGXOIJCJTMVPEM-UHFFFAOYSA-N
MW597.88 g/mol
LogP7.60
Rot. Bonds

About ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)

ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione) (PubChem CID 118195440) has the molecular formula C18H6Cl8N2O4 and a molecular weight of 597.88 g/mol. Its IUPAC name is ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione).

Molecular Properties

Compound Nameethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)
PubChem CID118195440
Molecular FormulaC18H6Cl8N2O4
Molecular Weight597.88 g/mol
Exact Mass593.78
IUPAC Nameethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)
SMILESC=C.O=C1c2cc(Cl)c(Cl)c(Cl)c2C(=O)N1Cl.O=C1c2cc(Cl)c(Cl)c(Cl)c2C(=O)N1Cl
InChIInChI=1S/2C8HCl4NO2.C2H4/c2*9-3-1-2-4(6(11)5(3)10)8(15)13(12)7(2)14;1-2/h2*1H;1-2H2
InChIKeyRGXOIJCJTMVPEM-UHFFFAOYSA-N
XLogP7.60
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.88
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)?
The IUPAC name of ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione) (CID 118195440) is ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione).
What is the SMILES notation for ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)?
The canonical SMILES for ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione) is C=C.O=C1c2cc(Cl)c(Cl)c(Cl)c2C(=O)N1Cl.O=C1c2cc(Cl)c(Cl)c(Cl)c2C(=O)N1Cl.
What is the InChIKey of ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)?
The InChIKey is RGXOIJCJTMVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8HCl4NO2.C2H4/c2*9-3-1-2-4(6(11)5(3)10)8(15)13(12)7(2)14;1-2/h2*1H;1-2H2.
What are the key properties of ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione)?
ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione) has a molecular weight of 597.88 g/mol, XLogP of 7.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(2,4,5,6-tetrachloroisoindole-1,3-dione) is sourced from PubChem (CID 118195440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).