1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene

C9H12Cl4O4 — CID 131859137

IUPAC1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene
SMILESCOC1(OC)C(Cl)=C(Cl)C(OC)(OC)C1(Cl)Cl
InChIInChI=1S/C9H12Cl4O4/c1-14-7(15-2)5(10)6(11)8(16-3,17-4)9(7,12)13/h1-4H3
InChIKeyZQVXLXXIYCCEHI-UHFFFAOYSA-N
MW326.00 g/mol
LogP2.84
Rot. Bonds4

About 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene

1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene (PubChem CID 131859137) has the molecular formula C9H12Cl4O4 and a molecular weight of 326.00 g/mol. Its IUPAC name is 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene.

Molecular Properties

Compound Name1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene
PubChem CID131859137
Molecular FormulaC9H12Cl4O4
Molecular Weight326.00 g/mol
Exact Mass323.95
IUPAC Name1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene
SMILESCOC1(OC)C(Cl)=C(Cl)C(OC)(OC)C1(Cl)Cl
InChIInChI=1S/C9H12Cl4O4/c1-14-7(15-2)5(10)6(11)8(16-3,17-4)9(7,12)13/h1-4H3
InChIKeyZQVXLXXIYCCEHI-UHFFFAOYSA-N
XLogP2.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.00
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene?
The IUPAC name of 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene (CID 131859137) is 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene.
What is the SMILES notation for 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene?
The canonical SMILES for 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene is COC1(OC)C(Cl)=C(Cl)C(OC)(OC)C1(Cl)Cl.
What is the InChIKey of 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene?
The InChIKey is ZQVXLXXIYCCEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl4O4/c1-14-7(15-2)5(10)6(11)8(16-3,17-4)9(7,12)13/h1-4H3.
What are the key properties of 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene?
1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene has a molecular weight of 326.00 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene is sourced from PubChem (CID 131859137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).