2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane

C9H15BrO — CID 165446550

IUPAC2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane
SMILESBrCC1(CCC2CO2)CCC1
InChIInChI=1S/C9H15BrO/c10-7-9(3-1-4-9)5-2-8-6-11-8/h8H,1-7H2
InChIKeyMZGWBSMKEHVUSF-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane

2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane (PubChem CID 165446550) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane
PubChem CID165446550
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane
SMILESBrCC1(CCC2CO2)CCC1
InChIInChI=1S/C9H15BrO/c10-7-9(3-1-4-9)5-2-8-6-11-8/h8H,1-7H2
InChIKeyMZGWBSMKEHVUSF-UHFFFAOYSA-N
XLogP2.73
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane?
The IUPAC name of 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane (CID 165446550) is 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane.
What is the SMILES notation for 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane?
The canonical SMILES for 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane is BrCC1(CCC2CO2)CCC1.
What is the InChIKey of 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane?
The InChIKey is MZGWBSMKEHVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c10-7-9(3-1-4-9)5-2-8-6-11-8/h8H,1-7H2.
What are the key properties of 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane?
2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane has a molecular weight of 219.12 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(bromomethyl)cyclobutyl]ethyl]oxirane is sourced from PubChem (CID 165446550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).