2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane

C9H16Br2O — CID 23533283

IUPAC2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
SMILESCCC1OC(Br)(CBr)C(C)C1C
InChIInChI=1S/C9H16Br2O/c1-4-8-6(2)7(3)9(11,5-10)12-8/h6-8H,4-5H2,1-3H3
InChIKeyGCYMLYUEDAHQQC-UHFFFAOYSA-N
MW300.03 g/mol
LogP3.55
Rot. Bonds2

About 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane

2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane (PubChem CID 23533283) has the molecular formula C9H16Br2O and a molecular weight of 300.03 g/mol. Its IUPAC name is 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane.

Molecular Properties

Compound Name2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
PubChem CID23533283
Molecular FormulaC9H16Br2O
Molecular Weight300.03 g/mol
Exact Mass297.96
IUPAC Name2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
SMILESCCC1OC(Br)(CBr)C(C)C1C
InChIInChI=1S/C9H16Br2O/c1-4-8-6(2)7(3)9(11,5-10)12-8/h6-8H,4-5H2,1-3H3
InChIKeyGCYMLYUEDAHQQC-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 53.55
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-(2-Bromoethyl)-3-methyloxolane
CID 137935940
(2R,3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 59567413
(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450263
2-[2-(Bromomethyl)butyl]oxolane
CID 66041849
(2S,3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 157887029
(3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 158282620
2,2,3-Trimethyl-5-(tribromomethyl)oxolane
CID 71327384
6-Bromo-3-methyl-1-propan-2-yloxyhexane
CID 21561551
(3S,4R,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
CID 57764513
(3S,5R)-2-bromo-5-ethyl-3,4-dimethyloxolane
CID 57809648
(2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
CID 58696769
2-Bromo-5-ethyl-3,4-dimethyloxolane
CID 59075061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
The IUPAC name of 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane (CID 23533283) is 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane.
What is the SMILES notation for 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
The canonical SMILES for 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane is CCC1OC(Br)(CBr)C(C)C1C.
What is the InChIKey of 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
The InChIKey is GCYMLYUEDAHQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2O/c1-4-8-6(2)7(3)9(11,5-10)12-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane has a molecular weight of 300.03 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane is sourced from PubChem (CID 23533283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).