2-(bromomethyl)-5,5-dimethyloxane

C8H15BrO — CID 134690899

IUPAC2-(bromomethyl)-5,5-dimethyloxane
SMILESCC1(C)CCC(CBr)OC1
InChIInChI=1S/C8H15BrO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6H2,1-2H3
InChIKeyNWWOFDDZNBWTTJ-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.59
Rot. Bonds1

About 2-(bromomethyl)-5,5-dimethyloxane

2-(bromomethyl)-5,5-dimethyloxane (PubChem CID 134690899) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-(bromomethyl)-5,5-dimethyloxane.

Molecular Properties

Compound Name2-(bromomethyl)-5,5-dimethyloxane
PubChem CID134690899
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name2-(bromomethyl)-5,5-dimethyloxane
SMILESCC1(C)CCC(CBr)OC1
InChIInChI=1S/C8H15BrO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6H2,1-2H3
InChIKeyNWWOFDDZNBWTTJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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 2-(bromomethyl)-5,5-dimethyloxane?
The IUPAC name of 2-(bromomethyl)-5,5-dimethyloxane (CID 134690899) is 2-(bromomethyl)-5,5-dimethyloxane.
What is the SMILES notation for 2-(bromomethyl)-5,5-dimethyloxane?
The canonical SMILES for 2-(bromomethyl)-5,5-dimethyloxane is CC1(C)CCC(CBr)OC1.
What is the InChIKey of 2-(bromomethyl)-5,5-dimethyloxane?
The InChIKey is NWWOFDDZNBWTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-8(2)4-3-7(5-9)10-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5,5-dimethyloxane?
2-(bromomethyl)-5,5-dimethyloxane has a molecular weight of 207.11 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5,5-dimethyloxane is sourced from PubChem (CID 134690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).