(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane

C7H9BrO2 — CID 98006016

IUPAC(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane
SMILESC#CCO[C@H]1OCC[C@H]1Br
InChIInChI=1S/C7H9BrO2/c1-2-4-9-7-6(8)3-5-10-7/h1,6-7H,3-5H2/t6-,7+/m1/s1
InChIKeyAWULWFRVGOGUEH-RQJHMYQMSA-N
MW205.05 g/mol
LogP1.15
Rot. Bonds2

About (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane

(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane (PubChem CID 98006016) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane.

Molecular Properties

Compound Name(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane
PubChem CID98006016
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane
SMILESC#CCO[C@H]1OCC[C@H]1Br
InChIInChI=1S/C7H9BrO2/c1-2-4-9-7-6(8)3-5-10-7/h1,6-7H,3-5H2/t6-,7+/m1/s1
InChIKeyAWULWFRVGOGUEH-RQJHMYQMSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane?
The IUPAC name of (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane (CID 98006016) is (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane.
What is the SMILES notation for (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane?
The canonical SMILES for (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane is C#CCO[C@H]1OCC[C@H]1Br.
What is the InChIKey of (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane?
The InChIKey is AWULWFRVGOGUEH-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H9BrO2/c1-2-4-9-7-6(8)3-5-10-7/h1,6-7H,3-5H2/t6-,7+/m1/s1.
What are the key properties of (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane?
(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane has a molecular weight of 205.05 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-bromo-2-prop-2-ynoxyoxolane is sourced from PubChem (CID 98006016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).