2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane

C10H19BrO — CID 106201186

IUPAC2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane
SMILESCC(C)(CBr)COCCC1CC1
InChIInChI=1S/C10H19BrO/c1-10(2,7-11)8-12-6-5-9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyOJMUBLGYGJHYLC-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane

2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane (PubChem CID 106201186) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane.

Molecular Properties

Compound Name2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane
PubChem CID106201186
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane
SMILESCC(C)(CBr)COCCC1CC1
InChIInChI=1S/C10H19BrO/c1-10(2,7-11)8-12-6-5-9-3-4-9/h9H,3-8H2,1-2H3
InChIKeyOJMUBLGYGJHYLC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.22
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

1-(3-bromo-2,2-dimethylpropoxy)-3,3-dimethylbutane
CID 66234059
1-bromo-2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propane
CID 82790057
3-(2-cyclopropylethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 106205944
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 106206190
(3-bromo-2,2-dimethylpropyl) 4-propylcyclohexane-1-carboxylate
CID 59289029
2-[2-(bromomethyl)butoxy]ethylcyclopropane
CID 106201198
2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane
CID 106204818
4-(2-cyclopropylethoxy)-N-ethylbutan-2-amine
CID 106200792
1-(3-bromo-2,2-dimethylpropoxy)-4-methylcyclohexane
CID 64994565
2-(6-bromohexoxy)ethylcyclohexane
CID 19987546
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
CID 134545035

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane?
The IUPAC name of 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane (CID 106201186) is 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane.
What is the SMILES notation for 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane?
The canonical SMILES for 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane is CC(C)(CBr)COCCC1CC1.
What is the InChIKey of 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane?
The InChIKey is OJMUBLGYGJHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-10(2,7-11)8-12-6-5-9-3-4-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane?
2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane has a molecular weight of 235.16 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane is sourced from PubChem (CID 106201186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).