3-(bromomethyl)-3-(2-ethoxyethyl)oxane

C10H19BrO2 — CID 66042265

IUPAC3-(bromomethyl)-3-(2-ethoxyethyl)oxane
SMILESCCOCCC1(CBr)CCCOC1
InChIInChI=1S/C10H19BrO2/c1-2-12-7-5-10(8-11)4-3-6-13-9-10/h2-9H2,1H3
InChIKeyDPYLPZVPAZOZOD-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.60
Rot. Bonds5

About 3-(bromomethyl)-3-(2-ethoxyethyl)oxane

3-(bromomethyl)-3-(2-ethoxyethyl)oxane (PubChem CID 66042265) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(2-ethoxyethyl)oxane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(2-ethoxyethyl)oxane
PubChem CID66042265
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name3-(bromomethyl)-3-(2-ethoxyethyl)oxane
SMILESCCOCCC1(CBr)CCCOC1
InChIInChI=1S/C10H19BrO2/c1-2-12-7-5-10(8-11)4-3-6-13-9-10/h2-9H2,1H3
InChIKeyDPYLPZVPAZOZOD-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.60
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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Related Compounds

3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187
3-(bromomethyl)-3-hexyloxane
CID 66041468
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
3,3-dipentyloxane
CID 174267507
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
3-(bromomethyl)-3-nonyloxolane
CID 66050745
3-(bromomethyl)-3-(2-methylprop-2-enyl)oxane
CID 165445953
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(2-ethoxyethyl)oxane?
The IUPAC name of 3-(bromomethyl)-3-(2-ethoxyethyl)oxane (CID 66042265) is 3-(bromomethyl)-3-(2-ethoxyethyl)oxane.
What is the SMILES notation for 3-(bromomethyl)-3-(2-ethoxyethyl)oxane?
The canonical SMILES for 3-(bromomethyl)-3-(2-ethoxyethyl)oxane is CCOCCC1(CBr)CCCOC1.
What is the InChIKey of 3-(bromomethyl)-3-(2-ethoxyethyl)oxane?
The InChIKey is DPYLPZVPAZOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-2-12-7-5-10(8-11)4-3-6-13-9-10/h2-9H2,1H3.
What are the key properties of 3-(bromomethyl)-3-(2-ethoxyethyl)oxane?
3-(bromomethyl)-3-(2-ethoxyethyl)oxane has a molecular weight of 251.16 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(2-ethoxyethyl)oxane is sourced from PubChem (CID 66042265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).