2-bromo-5-(bromomethyl)-3,3-dimethyloxolane

C7H12Br2O — CID 10355860

IUPAC2-bromo-5-(bromomethyl)-3,3-dimethyloxolane
SMILESCC1(C)CC(CBr)OC1Br
InChIInChI=1S/C7H12Br2O/c1-7(2)3-5(4-8)10-6(7)9/h5-6H,3-4H2,1-2H3
InChIKeyIPOAHOGSONGXFC-UHFFFAOYSA-N
MW271.98 g/mol
LogP2.92
Rot. Bonds1

About 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane

2-bromo-5-(bromomethyl)-3,3-dimethyloxolane (PubChem CID 10355860) has the molecular formula C7H12Br2O and a molecular weight of 271.98 g/mol. Its IUPAC name is 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane.

Molecular Properties

Compound Name2-bromo-5-(bromomethyl)-3,3-dimethyloxolane
PubChem CID10355860
Molecular FormulaC7H12Br2O
Molecular Weight271.98 g/mol
Exact Mass269.93
IUPAC Name2-bromo-5-(bromomethyl)-3,3-dimethyloxolane
SMILESCC1(C)CC(CBr)OC1Br
InChIInChI=1S/C7H12Br2O/c1-7(2)3-5(4-8)10-6(7)9/h5-6H,3-4H2,1-2H3
InChIKeyIPOAHOGSONGXFC-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.98
LogP ≤ 52.92
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

(3R)-3-(bromomethyl)-2-oxaspiro[4.4]nonane
CID 125455820
2-(bromomethyl)-5,5-dimethyloxane
CID 134690899
(7R)-7-(bromomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 125456552
(7S)-7-(bromomethyl)-2-methyl-6-oxaspiro[3.4]octane
CID 125456550
(2S,5R)-5-(bromomethyl)-2-methyl-3,3-diphenyloxolane
CID 125472801
3-(bromomethyl)-2-oxaspiro[4.5]decan-1-one
CID 59051963
(1R,3R,4S,6S)-3,4-dibromo-1,6-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 124922220
3-bromo-2-ethyl-2-methyloxirane
CID 141187885
2-(bromomethyl)oxirane;N,N-dimethylmethanamine
CID 87110477
3-bromo-2-methyl-2-propyloxirane
CID 141287947
(2S,3S,5S)-5-(bromomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 101122186
6-(bromomethyl)-2-cyclopropyl-2-methyloxane
CID 126983630

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane?
The IUPAC name of 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane (CID 10355860) is 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane.
What is the SMILES notation for 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane?
The canonical SMILES for 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane is CC1(C)CC(CBr)OC1Br.
What is the InChIKey of 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane?
The InChIKey is IPOAHOGSONGXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2O/c1-7(2)3-5(4-8)10-6(7)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane?
2-bromo-5-(bromomethyl)-3,3-dimethyloxolane has a molecular weight of 271.98 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(bromomethyl)-3,3-dimethyloxolane is sourced from PubChem (CID 10355860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).