1,1,2-trichloro-3,4-dimethoxybut-1-ene

C6H9Cl3O2 — CID 71391951

IUPAC1,1,2-trichloro-3,4-dimethoxybut-1-ene
SMILESCOCC(OC)C(Cl)=C(Cl)Cl
InChIInChI=1S/C6H9Cl3O2/c1-10-3-4(11-2)5(7)6(8)9/h4H,3H2,1-2H3
InChIKeyONHZSLBQJQWTTJ-UHFFFAOYSA-N
MW219.49 g/mol
LogP2.53
Rot. Bonds4

About 1,1,2-trichloro-3,4-dimethoxybut-1-ene

1,1,2-trichloro-3,4-dimethoxybut-1-ene (PubChem CID 71391951) has the molecular formula C6H9Cl3O2 and a molecular weight of 219.49 g/mol. Its IUPAC name is 1,1,2-trichloro-3,4-dimethoxybut-1-ene.

Molecular Properties

Compound Name1,1,2-trichloro-3,4-dimethoxybut-1-ene
PubChem CID71391951
Molecular FormulaC6H9Cl3O2
Molecular Weight219.49 g/mol
Exact Mass217.97
IUPAC Name1,1,2-trichloro-3,4-dimethoxybut-1-ene
SMILESCOCC(OC)C(Cl)=C(Cl)Cl
InChIInChI=1S/C6H9Cl3O2/c1-10-3-4(11-2)5(7)6(8)9/h4H,3H2,1-2H3
InChIKeyONHZSLBQJQWTTJ-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-3,4-dimethoxybut-1-ene?
The IUPAC name of 1,1,2-trichloro-3,4-dimethoxybut-1-ene (CID 71391951) is 1,1,2-trichloro-3,4-dimethoxybut-1-ene.
What is the SMILES notation for 1,1,2-trichloro-3,4-dimethoxybut-1-ene?
The canonical SMILES for 1,1,2-trichloro-3,4-dimethoxybut-1-ene is COCC(OC)C(Cl)=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-3,4-dimethoxybut-1-ene?
The InChIKey is ONHZSLBQJQWTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl3O2/c1-10-3-4(11-2)5(7)6(8)9/h4H,3H2,1-2H3.
What are the key properties of 1,1,2-trichloro-3,4-dimethoxybut-1-ene?
1,1,2-trichloro-3,4-dimethoxybut-1-ene has a molecular weight of 219.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-3,4-dimethoxybut-1-ene is sourced from PubChem (CID 71391951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).