1-bromo-3-ethoxycyclobutane

C6H11BrO — CID 65439111

IUPAC1-bromo-3-ethoxycyclobutane
SMILESCCOC1CC(Br)C1
InChIInChI=1S/C6H11BrO/c1-2-8-6-3-5(7)4-6/h5-6H,2-4H2,1H3
InChIKeyYVGAMOVMFISILV-UHFFFAOYSA-N
MW179.06 g/mol
LogP1.95
Rot. Bonds2

About 1-bromo-3-ethoxycyclobutane

1-bromo-3-ethoxycyclobutane (PubChem CID 65439111) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is 1-bromo-3-ethoxycyclobutane.

Molecular Properties

Compound Name1-bromo-3-ethoxycyclobutane
PubChem CID65439111
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name1-bromo-3-ethoxycyclobutane
SMILESCCOC1CC(Br)C1
InChIInChI=1S/C6H11BrO/c1-2-8-6-3-5(7)4-6/h5-6H,2-4H2,1H3
InChIKeyYVGAMOVMFISILV-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethoxycyclobutane?
The IUPAC name of 1-bromo-3-ethoxycyclobutane (CID 65439111) is 1-bromo-3-ethoxycyclobutane.
What is the SMILES notation for 1-bromo-3-ethoxycyclobutane?
The canonical SMILES for 1-bromo-3-ethoxycyclobutane is CCOC1CC(Br)C1.
What is the InChIKey of 1-bromo-3-ethoxycyclobutane?
The InChIKey is YVGAMOVMFISILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO/c1-2-8-6-3-5(7)4-6/h5-6H,2-4H2,1H3.
What are the key properties of 1-bromo-3-ethoxycyclobutane?
1-bromo-3-ethoxycyclobutane has a molecular weight of 179.06 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethoxycyclobutane is sourced from PubChem (CID 65439111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).