2-(bromomethyl)-2,5,5-trimethyloxolane

C8H15BrO — CID 130583089

IUPAC2-(bromomethyl)-2,5,5-trimethyloxolane
SMILESCC1(C)CCC(C)(CBr)O1
InChIInChI=1S/C8H15BrO/c1-7(2)4-5-8(3,6-9)10-7/h4-6H2,1-3H3
InChIKeyAOQWIRUJPYYHCV-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds1

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

2-(bromomethyl)-2,5,5-trimethyloxolane (PubChem CID 130583089) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-(bromomethyl)-2,5,5-trimethyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2,5,5-trimethyloxolane
PubChem CID130583089
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name2-(bromomethyl)-2,5,5-trimethyloxolane
SMILESCC1(C)CCC(C)(CBr)O1
InChIInChI=1S/C8H15BrO/c1-7(2)4-5-8(3,6-9)10-7/h4-6H2,1-3H3
InChIKeyAOQWIRUJPYYHCV-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'}

Analyze 2-(bromomethyl)-2,5,5-trimethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Bromomethyl)-2,2-dimethyloxolane
CID 67034646
4-(Bromomethyl)-2,2-dimethyloxolane
CID 117760225
2-(Bromomethyl)-2-methyloxolane
CID 13042890
4-(2-Bromoethyl)-2,2-dimethyloxolane
CID 137917421
2-(Bromomethyl)-2,5-dimethyl-5-(trifluoromethyl)oxolane
CID 126983650
2-(Bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane
CID 164661560
3-Bromo-2,2-dimethyloxolane
CID 13487498
5-Bromo-2,2-dimethyloxolane
CID 20347171
4-Bromo-2,2-dimethyloxolane
CID 20579122
4-Bromo-2,2-diethyloxolane
CID 22958852
3-Bromo-2-(3-bromo-2-methylhexan-2-yl)oxy-2-methylhexane
CID 56637905
1-Bromo-5-(6-bromo-2-methylhexan-2-yl)oxy-5-methylhexane
CID 88313127

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2,5,5-trimethyloxolane?
The IUPAC name of 2-(bromomethyl)-2,5,5-trimethyloxolane (CID 130583089) is 2-(bromomethyl)-2,5,5-trimethyloxolane.
What is the SMILES notation for 2-(bromomethyl)-2,5,5-trimethyloxolane?
The canonical SMILES for 2-(bromomethyl)-2,5,5-trimethyloxolane is CC1(C)CCC(C)(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-2,5,5-trimethyloxolane?
The InChIKey is AOQWIRUJPYYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-7(2)4-5-8(3,6-9)10-7/h4-6H2,1-3H3.
What are the key properties of 2-(bromomethyl)-2,5,5-trimethyloxolane?
2-(bromomethyl)-2,5,5-trimethyloxolane 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 2-(bromomethyl)-2,5,5-trimethyloxolane is sourced from PubChem (CID 130583089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).