2-butoxy-1,1-dichlorocyclopropane

C7H12Cl2O — CID 26263

IUPAC2-butoxy-1,1-dichlorocyclopropane
SMILESCCCCOC1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyOAEYPULZIQJLHZ-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.75
Rot. Bonds4

About 2-butoxy-1,1-dichlorocyclopropane

2-butoxy-1,1-dichlorocyclopropane (PubChem CID 26263) has the molecular formula C7H12Cl2O and a molecular weight of 183.08 g/mol. Its IUPAC name is 2-butoxy-1,1-dichlorocyclopropane.

Molecular Properties

Compound Name2-butoxy-1,1-dichlorocyclopropane
PubChem CID26263
Molecular FormulaC7H12Cl2O
Molecular Weight183.08 g/mol
Exact Mass182.03
IUPAC Name2-butoxy-1,1-dichlorocyclopropane
SMILESCCCCOC1CC1(Cl)Cl
InChIInChI=1S/C7H12Cl2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyOAEYPULZIQJLHZ-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,1-dichlorocyclopropane?
The IUPAC name of 2-butoxy-1,1-dichlorocyclopropane (CID 26263) is 2-butoxy-1,1-dichlorocyclopropane.
What is the SMILES notation for 2-butoxy-1,1-dichlorocyclopropane?
The canonical SMILES for 2-butoxy-1,1-dichlorocyclopropane is CCCCOC1CC1(Cl)Cl.
What is the InChIKey of 2-butoxy-1,1-dichlorocyclopropane?
The InChIKey is OAEYPULZIQJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3.
What are the key properties of 2-butoxy-1,1-dichlorocyclopropane?
2-butoxy-1,1-dichlorocyclopropane has a molecular weight of 183.08 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,1-dichlorocyclopropane is sourced from PubChem (CID 26263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).