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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Related Compounds

3-butoxy-1-methylcyclobutan-1-amine
CID 118087407
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
1,2-dibutoxycyclohexane
CID 24962665
butoxycyclobutane
CID 54057236
2-bromo-1,1-dimethyl-4-pentoxycyclobutane
CID 66346400
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-butoxy-N-(2-chloroprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 115906348
1,1-dichloro-2-octylcyclopropane
CID 10799099
3-heptoxy-2,2-dimethylcyclobutan-1-amine
CID 66359446
3-butoxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356652
2-bromo-1-ethyl-1-methyl-4-pentoxycyclobutane
CID 66343460

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).