2-(bromomethyl)-2-(methoxymethyl)oxane

C8H15BrO2 — CID 130624431

IUPAC2-(bromomethyl)-2-(methoxymethyl)oxane
SMILESCOCC1(CBr)CCCCO1
InChIInChI=1S/C8H15BrO2/c1-10-7-8(6-9)4-2-3-5-11-8/h2-7H2,1H3
InChIKeyPJIHIPKHTCELGI-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.97
Rot. Bonds3

About 2-(bromomethyl)-2-(methoxymethyl)oxane

2-(bromomethyl)-2-(methoxymethyl)oxane (PubChem CID 130624431) has the molecular formula C8H15BrO2 and a molecular weight of 223.11 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(methoxymethyl)oxane.

Molecular Properties

Compound Name2-(bromomethyl)-2-(methoxymethyl)oxane
PubChem CID130624431
Molecular FormulaC8H15BrO2
Molecular Weight223.11 g/mol
Exact Mass222.03
IUPAC Name2-(bromomethyl)-2-(methoxymethyl)oxane
SMILESCOCC1(CBr)CCCCO1
InChIInChI=1S/C8H15BrO2/c1-10-7-8(6-9)4-2-3-5-11-8/h2-7H2,1H3
InChIKeyPJIHIPKHTCELGI-UHFFFAOYSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-(methoxymethyl)oxane?
The IUPAC name of 2-(bromomethyl)-2-(methoxymethyl)oxane (CID 130624431) is 2-(bromomethyl)-2-(methoxymethyl)oxane.
What is the SMILES notation for 2-(bromomethyl)-2-(methoxymethyl)oxane?
The canonical SMILES for 2-(bromomethyl)-2-(methoxymethyl)oxane is COCC1(CBr)CCCCO1.
What is the InChIKey of 2-(bromomethyl)-2-(methoxymethyl)oxane?
The InChIKey is PJIHIPKHTCELGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO2/c1-10-7-8(6-9)4-2-3-5-11-8/h2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-2-(methoxymethyl)oxane?
2-(bromomethyl)-2-(methoxymethyl)oxane has a molecular weight of 223.11 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(methoxymethyl)oxane is sourced from PubChem (CID 130624431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).