1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane

C7H9Cl3O2 — CID 15169420

IUPAC1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane
SMILESCOC1(OC)CC1C(Cl)=C(Cl)Cl
InChIInChI=1S/C7H9Cl3O2/c1-11-7(12-2)3-4(7)5(8)6(9)10/h4H,3H2,1-2H3
InChIKeyTYBQPWASVBWNMK-UHFFFAOYSA-N
MW231.51 g/mol
LogP2.88
Rot. Bonds3

About 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane

1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane (PubChem CID 15169420) has the molecular formula C7H9Cl3O2 and a molecular weight of 231.51 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane
PubChem CID15169420
Molecular FormulaC7H9Cl3O2
Molecular Weight231.51 g/mol
Exact Mass229.97
IUPAC Name1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane
SMILESCOC1(OC)CC1C(Cl)=C(Cl)Cl
InChIInChI=1S/C7H9Cl3O2/c1-11-7(12-2)3-4(7)5(8)6(9)10/h4H,3H2,1-2H3
InChIKeyTYBQPWASVBWNMK-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane?
The IUPAC name of 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane (CID 15169420) is 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane.
What is the SMILES notation for 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane?
The canonical SMILES for 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane is COC1(OC)CC1C(Cl)=C(Cl)Cl.
What is the InChIKey of 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane?
The InChIKey is TYBQPWASVBWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3O2/c1-11-7(12-2)3-4(7)5(8)6(9)10/h4H,3H2,1-2H3.
What are the key properties of 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane?
1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane has a molecular weight of 231.51 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-(1,2,2-trichloroethenyl)cyclopropane is sourced from PubChem (CID 15169420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).