2-(bromomethyl)oxirane;ethoxyethane

C7H15BrO2 — CID 87830784

IUPAC2-(bromomethyl)oxirane;ethoxyethane
SMILESBrCC1CO1.CCOCC
InChIInChI=1S/C4H10O.C3H5BrO/c1-3-5-4-2;4-1-3-2-5-3/h3-4H2,1-2H3;3H,1-2H2
InChIKeyZGUXQCORIPVVRW-UHFFFAOYSA-N
MW211.10 g/mol
LogP1.82
Rot. Bonds3

About 2-(bromomethyl)oxirane;ethoxyethane

2-(bromomethyl)oxirane;ethoxyethane (PubChem CID 87830784) has the molecular formula C7H15BrO2 and a molecular weight of 211.10 g/mol. Its IUPAC name is 2-(bromomethyl)oxirane;ethoxyethane.

Molecular Properties

Compound Name2-(bromomethyl)oxirane;ethoxyethane
PubChem CID87830784
Molecular FormulaC7H15BrO2
Molecular Weight211.10 g/mol
Exact Mass210.03
IUPAC Name2-(bromomethyl)oxirane;ethoxyethane
SMILESBrCC1CO1.CCOCC
InChIInChI=1S/C4H10O.C3H5BrO/c1-3-5-4-2;4-1-3-2-5-3/h3-4H2,1-2H3;3H,1-2H2
InChIKeyZGUXQCORIPVVRW-UHFFFAOYSA-N
XLogP1.82
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(bromomethyl)oxirane;ethoxyethane?
The IUPAC name of 2-(bromomethyl)oxirane;ethoxyethane (CID 87830784) is 2-(bromomethyl)oxirane;ethoxyethane.
What is the SMILES notation for 2-(bromomethyl)oxirane;ethoxyethane?
The canonical SMILES for 2-(bromomethyl)oxirane;ethoxyethane is BrCC1CO1.CCOCC.
What is the InChIKey of 2-(bromomethyl)oxirane;ethoxyethane?
The InChIKey is ZGUXQCORIPVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H5BrO/c1-3-5-4-2;4-1-3-2-5-3/h3-4H2,1-2H3;3H,1-2H2.
What are the key properties of 2-(bromomethyl)oxirane;ethoxyethane?
2-(bromomethyl)oxirane;ethoxyethane has a molecular weight of 211.10 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)oxirane;ethoxyethane is sourced from PubChem (CID 87830784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).