(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione

C8H7Cl3O4 — CID 154411642

IUPAC(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione
SMILESO=C1/C=C\C(=O)OCC(Cl)(Cl)C(Cl)CO1
InChIInChI=1S/C8H7Cl3O4/c9-5-3-14-6(12)1-2-7(13)15-4-8(5,10)11/h1-2,5H,3-4H2/b2-1-
InChIKeyPRZKLGXPPRQRPE-UPHRSURJSA-N
MW273.50 g/mol
LogP1.42
Rot. Bonds

About (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione

(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione (PubChem CID 154411642) has the molecular formula C8H7Cl3O4 and a molecular weight of 273.50 g/mol. Its IUPAC name is (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione.

Molecular Properties

Compound Name(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione
PubChem CID154411642
Molecular FormulaC8H7Cl3O4
Molecular Weight273.50 g/mol
Exact Mass271.94
IUPAC Name(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione
SMILESO=C1/C=C\C(=O)OCC(Cl)(Cl)C(Cl)CO1
InChIInChI=1S/C8H7Cl3O4/c9-5-3-14-6(12)1-2-7(13)15-4-8(5,10)11/h1-2,5H,3-4H2/b2-1-
InChIKeyPRZKLGXPPRQRPE-UPHRSURJSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.50
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione?
The IUPAC name of (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione (CID 154411642) is (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione.
What is the SMILES notation for (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione?
The canonical SMILES for (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione is O=C1/C=C\C(=O)OCC(Cl)(Cl)C(Cl)CO1.
What is the InChIKey of (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione?
The InChIKey is PRZKLGXPPRQRPE-UPHRSURJSA-N. The full InChI is InChI=1S/C8H7Cl3O4/c9-5-3-14-6(12)1-2-7(13)15-4-8(5,10)11/h1-2,5H,3-4H2/b2-1-.
What are the key properties of (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione?
(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione has a molecular weight of 273.50 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione is sourced from PubChem (CID 154411642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).