2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane

C13H25BrO2 — CID 112590652

IUPAC2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane
SMILESCCC1(C)C(Br)CC1OCCOC(C)(C)C
InChIInChI=1S/C13H25BrO2/c1-6-13(5)10(14)9-11(13)15-7-8-16-12(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyDNUAEQYFKNZJBJ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.77
Rot. Bonds5

About 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane

2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane (PubChem CID 112590652) has the molecular formula C13H25BrO2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane.

Molecular Properties

Compound Name2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane
PubChem CID112590652
Molecular FormulaC13H25BrO2
Molecular Weight293.25 g/mol
Exact Mass292.10
IUPAC Name2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane
SMILESCCC1(C)C(Br)CC1OCCOC(C)(C)C
InChIInChI=1S/C13H25BrO2/c1-6-13(5)10(14)9-11(13)15-7-8-16-12(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyDNUAEQYFKNZJBJ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane?
The IUPAC name of 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane (CID 112590652) is 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane.
What is the SMILES notation for 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane?
The canonical SMILES for 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane is CCC1(C)C(Br)CC1OCCOC(C)(C)C.
What is the InChIKey of 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane?
The InChIKey is DNUAEQYFKNZJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO2/c1-6-13(5)10(14)9-11(13)15-7-8-16-12(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane?
2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane has a molecular weight of 293.25 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutane is sourced from PubChem (CID 112590652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).