5-(bromomethyl)-2,2-dimethyloxolane

C7H13BrO — CID 67034646

IUPAC5-(bromomethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CBr)O1
InChIInChI=1S/C7H13BrO/c1-7(2)4-3-6(5-8)9-7/h6H,3-5H2,1-2H3
InChIKeyHYAZGHDCDWKRBD-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds1

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

5-(bromomethyl)-2,2-dimethyloxolane (PubChem CID 67034646) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 5-(bromomethyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(bromomethyl)-2,2-dimethyloxolane
PubChem CID67034646
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name5-(bromomethyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CBr)O1
InChIInChI=1S/C7H13BrO/c1-7(2)4-3-6(5-8)9-7/h6H,3-5H2,1-2H3
InChIKeyHYAZGHDCDWKRBD-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Bromomethyl)-4,4-dimethyloxolane
CID 10442584
4-(Bromomethyl)-2-methyloxolane
CID 114826152
4-(Bromomethyl)-2,2-dimethyloxolane
CID 117760225
5-(2-Bromoethyl)-2,2-dimethyloxolane
CID 167735084
2-(Bromomethyl)-2-methyloxolane
CID 13042890
2-(Bromomethyl)-2,5,5-trimethyloxolane
CID 130583089
2-(Bromomethyl)-4-methyloxolane
CID 131408683
4-(2-Bromoethyl)-2,2-dimethyloxolane
CID 137917421
2-(2-Bromoethyl)-3-methyloxolane
CID 137935940
rac-(2R,3S)-2-(bromomethyl)-3-methyloxolane
CID 137952133
rac-(2R,5R)-2-(bromomethyl)-5-methyloxolane
CID 146155289
2-(Bromomethyl)-5-methyloxolane
CID 13806296

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(bromomethyl)-2,2-dimethyloxolane (CID 67034646) is 5-(bromomethyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(bromomethyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(bromomethyl)-2,2-dimethyloxolane is CC1(C)CCC(CBr)O1.
What is the InChIKey of 5-(bromomethyl)-2,2-dimethyloxolane?
The InChIKey is HYAZGHDCDWKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-7(2)4-3-6(5-8)9-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2,2-dimethyloxolane?
5-(bromomethyl)-2,2-dimethyloxolane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2,2-dimethyloxolane is sourced from PubChem (CID 67034646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).