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

C9H16Br2O — CID 58696769

IUPAC(2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
SMILESCC[C@H]1O[C@](Br)(CBr)[C@@H](C)C1C
InChIInChI=1S/C9H16Br2O/c1-4-8-6(2)7(3)9(11,5-10)12-8/h6-8H,4-5H2,1-3H3/t6?,7-,8+,9+/m0/s1
InChIKeyGCYMLYUEDAHQQC-GSLILNRNSA-N
MW300.03 g/mol
LogP3.55
Rot. Bonds2

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

(2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane (PubChem CID 58696769) has the molecular formula C9H16Br2O and a molecular weight of 300.03 g/mol. Its IUPAC name is (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane.

Molecular Properties

Compound Name(2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
PubChem CID58696769
Molecular FormulaC9H16Br2O
Molecular Weight300.03 g/mol
Exact Mass297.96
IUPAC Name(2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
SMILESCC[C@H]1O[C@](Br)(CBr)[C@@H](C)C1C
InChIInChI=1S/C9H16Br2O/c1-4-8-6(2)7(3)9(11,5-10)12-8/h6-8H,4-5H2,1-3H3/t6?,7-,8+,9+/m0/s1
InChIKeyGCYMLYUEDAHQQC-GSLILNRNSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
The IUPAC name of (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane (CID 58696769) is (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane.
What is the SMILES notation for (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
The canonical SMILES for (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane is CC[C@H]1O[C@](Br)(CBr)[C@@H](C)C1C.
What is the InChIKey of (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
The InChIKey is GCYMLYUEDAHQQC-GSLILNRNSA-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/t6?,7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane?
(2R,3S,5R)-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 (2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane is sourced from PubChem (CID 58696769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).