2-bromo-4-methoxyoxane

C6H11BrO2 — CID 142459043

IUPAC2-bromo-4-methoxyoxane
SMILESCOC1CCOC(Br)C1
InChIInChI=1S/C6H11BrO2/c1-8-5-2-3-9-6(7)4-5/h5-6H,2-4H2,1H3
InChIKeyBEWKUJNGRDXHRI-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.53
Rot. Bonds1

About 2-bromo-4-methoxyoxane

2-bromo-4-methoxyoxane (PubChem CID 142459043) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is 2-bromo-4-methoxyoxane.

Molecular Properties

Compound Name2-bromo-4-methoxyoxane
PubChem CID142459043
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name2-bromo-4-methoxyoxane
SMILESCOC1CCOC(Br)C1
InChIInChI=1S/C6H11BrO2/c1-8-5-2-3-9-6(7)4-5/h5-6H,2-4H2,1H3
InChIKeyBEWKUJNGRDXHRI-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(4-methoxyoxan-2-yl)oxyoxane
CID 54561464
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
1,2,4-trimethoxycyclohexane
CID 547386
1,3,5-trimethoxycyclohexane
CID 547415
[(3S,5S)-5-methoxyoxepan-3-yl]methanamine
CID 59234185
(2R,3S)-2-iodo-3-methoxyoxolane
CID 162786702
(4aS,6R,8aS)-6-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 124709188
[(2R,4S)-2-methoxyoxan-4-yl] acetate
CID 153373300
2-(2-ethenylphenoxy)-4-methoxyoxane
CID 67571566
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
(4R)-4-methoxy-2,2-dimethyloxane
CID 170120982

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxyoxane?
The IUPAC name of 2-bromo-4-methoxyoxane (CID 142459043) is 2-bromo-4-methoxyoxane.
What is the SMILES notation for 2-bromo-4-methoxyoxane?
The canonical SMILES for 2-bromo-4-methoxyoxane is COC1CCOC(Br)C1.
What is the InChIKey of 2-bromo-4-methoxyoxane?
The InChIKey is BEWKUJNGRDXHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-8-5-2-3-9-6(7)4-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-bromo-4-methoxyoxane?
2-bromo-4-methoxyoxane has a molecular weight of 195.06 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxyoxane is sourced from PubChem (CID 142459043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).