1,1-dichloro-4,4-dimethoxybuta-1,2-diene

C6H8Cl2O2 — CID 134921948

IUPAC1,1-dichloro-4,4-dimethoxybuta-1,2-diene
SMILESCOC(C=C=C(Cl)Cl)OC
InChIInChI=1S/C6H8Cl2O2/c1-9-6(10-2)4-3-5(7)8/h4,6H,1-2H3
InChIKeyDAYUNRNWKRKJKK-UHFFFAOYSA-N
MW183.03 g/mol
LogP2.08
Rot. Bonds3

About 1,1-dichloro-4,4-dimethoxybuta-1,2-diene

1,1-dichloro-4,4-dimethoxybuta-1,2-diene (PubChem CID 134921948) has the molecular formula C6H8Cl2O2 and a molecular weight of 183.03 g/mol. Its IUPAC name is 1,1-dichloro-4,4-dimethoxybuta-1,2-diene.

Molecular Properties

Compound Name1,1-dichloro-4,4-dimethoxybuta-1,2-diene
PubChem CID134921948
Molecular FormulaC6H8Cl2O2
Molecular Weight183.03 g/mol
Exact Mass181.99
IUPAC Name1,1-dichloro-4,4-dimethoxybuta-1,2-diene
SMILESCOC(C=C=C(Cl)Cl)OC
InChIInChI=1S/C6H8Cl2O2/c1-9-6(10-2)4-3-5(7)8/h4,6H,1-2H3
InChIKeyDAYUNRNWKRKJKK-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.03
LogP ≤ 52.08
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-dichloro-4,4-dimethoxybuta-1,2-diene?
The IUPAC name of 1,1-dichloro-4,4-dimethoxybuta-1,2-diene (CID 134921948) is 1,1-dichloro-4,4-dimethoxybuta-1,2-diene.
What is the SMILES notation for 1,1-dichloro-4,4-dimethoxybuta-1,2-diene?
The canonical SMILES for 1,1-dichloro-4,4-dimethoxybuta-1,2-diene is COC(C=C=C(Cl)Cl)OC.
What is the InChIKey of 1,1-dichloro-4,4-dimethoxybuta-1,2-diene?
The InChIKey is DAYUNRNWKRKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O2/c1-9-6(10-2)4-3-5(7)8/h4,6H,1-2H3.
What are the key properties of 1,1-dichloro-4,4-dimethoxybuta-1,2-diene?
1,1-dichloro-4,4-dimethoxybuta-1,2-diene has a molecular weight of 183.03 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4,4-dimethoxybuta-1,2-diene is sourced from PubChem (CID 134921948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).