1-bromo-1-(methoxymethoxy)propane

C5H11BrO2 — CID 87599156

IUPAC1-bromo-1-(methoxymethoxy)propane
SMILESCCC(Br)OCOC
InChIInChI=1S/C5H11BrO2/c1-3-5(6)8-4-7-2/h5H,3-4H2,1-2H3
InChIKeyBEQLFPORWBDWQB-UHFFFAOYSA-N
MW183.04 g/mol
LogP1.74
Rot. Bonds4

About 1-bromo-1-(methoxymethoxy)propane

1-bromo-1-(methoxymethoxy)propane (PubChem CID 87599156) has the molecular formula C5H11BrO2 and a molecular weight of 183.04 g/mol. Its IUPAC name is 1-bromo-1-(methoxymethoxy)propane.

Molecular Properties

Compound Name1-bromo-1-(methoxymethoxy)propane
PubChem CID87599156
Molecular FormulaC5H11BrO2
Molecular Weight183.04 g/mol
Exact Mass181.99
IUPAC Name1-bromo-1-(methoxymethoxy)propane
SMILESCCC(Br)OCOC
InChIInChI=1S/C5H11BrO2/c1-3-5(6)8-4-7-2/h5H,3-4H2,1-2H3
InChIKeyBEQLFPORWBDWQB-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(methoxymethoxy)propane?
The IUPAC name of 1-bromo-1-(methoxymethoxy)propane (CID 87599156) is 1-bromo-1-(methoxymethoxy)propane.
What is the SMILES notation for 1-bromo-1-(methoxymethoxy)propane?
The canonical SMILES for 1-bromo-1-(methoxymethoxy)propane is CCC(Br)OCOC.
What is the InChIKey of 1-bromo-1-(methoxymethoxy)propane?
The InChIKey is BEQLFPORWBDWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO2/c1-3-5(6)8-4-7-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-bromo-1-(methoxymethoxy)propane?
1-bromo-1-(methoxymethoxy)propane has a molecular weight of 183.04 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(methoxymethoxy)propane is sourced from PubChem (CID 87599156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).