6-(bromomethyl)-2,2-dimethyloxane

C8H15BrO — CID 126970875

IUPAC6-(bromomethyl)-2,2-dimethyloxane
SMILESCC1(C)CCCC(CBr)O1
InChIInChI=1S/C8H15BrO/c1-8(2)5-3-4-7(6-9)10-8/h7H,3-6H2,1-2H3
InChIKeyLUMCRRAGIXQCBJ-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds1

About 6-(bromomethyl)-2,2-dimethyloxane

6-(bromomethyl)-2,2-dimethyloxane (PubChem CID 126970875) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyloxane.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyloxane
PubChem CID126970875
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name6-(bromomethyl)-2,2-dimethyloxane
SMILESCC1(C)CCCC(CBr)O1
InChIInChI=1S/C8H15BrO/c1-8(2)5-3-4-7(6-9)10-8/h7H,3-6H2,1-2H3
InChIKeyLUMCRRAGIXQCBJ-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(bromomethyl)-2,2-dimethyloxane?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyloxane (CID 126970875) is 6-(bromomethyl)-2,2-dimethyloxane.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyloxane?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyloxane is CC1(C)CCCC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyloxane?
The InChIKey is LUMCRRAGIXQCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-8(2)5-3-4-7(6-9)10-8/h7H,3-6H2,1-2H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyloxane?
6-(bromomethyl)-2,2-dimethyloxane has a molecular weight of 207.11 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyloxane is sourced from PubChem (CID 126970875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).