4-(bromomethyl)-2,2,6,6-tetramethyloxane

C10H19BrO — CID 126970543

IUPAC4-(bromomethyl)-2,2,6,6-tetramethyloxane
SMILESCC1(C)CC(CBr)CC(C)(C)O1
InChIInChI=1S/C10H19BrO/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8H,5-7H2,1-4H3
InChIKeyFSOOELPAFRDVFP-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds1

About 4-(bromomethyl)-2,2,6,6-tetramethyloxane

4-(bromomethyl)-2,2,6,6-tetramethyloxane (PubChem CID 126970543) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-(bromomethyl)-2,2,6,6-tetramethyloxane.

Molecular Properties

Compound Name4-(bromomethyl)-2,2,6,6-tetramethyloxane
PubChem CID126970543
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name4-(bromomethyl)-2,2,6,6-tetramethyloxane
SMILESCC1(C)CC(CBr)CC(C)(C)O1
InChIInChI=1S/C10H19BrO/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8H,5-7H2,1-4H3
InChIKeyFSOOELPAFRDVFP-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.37
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 4-(bromomethyl)-2,2,6,6-tetramethyloxane?
The IUPAC name of 4-(bromomethyl)-2,2,6,6-tetramethyloxane (CID 126970543) is 4-(bromomethyl)-2,2,6,6-tetramethyloxane.
What is the SMILES notation for 4-(bromomethyl)-2,2,6,6-tetramethyloxane?
The canonical SMILES for 4-(bromomethyl)-2,2,6,6-tetramethyloxane is CC1(C)CC(CBr)CC(C)(C)O1.
What is the InChIKey of 4-(bromomethyl)-2,2,6,6-tetramethyloxane?
The InChIKey is FSOOELPAFRDVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8H,5-7H2,1-4H3.
What are the key properties of 4-(bromomethyl)-2,2,6,6-tetramethyloxane?
4-(bromomethyl)-2,2,6,6-tetramethyloxane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2,2,6,6-tetramethyloxane is sourced from PubChem (CID 126970543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).