2-(dibromomethyl)oxolan-2-ol

C5H8Br2O2 — CID 15091991

IUPAC2-(dibromomethyl)oxolan-2-ol
SMILESOC1(C(Br)Br)CCCO1
InChIInChI=1S/C5H8Br2O2/c6-4(7)5(8)2-1-3-9-5/h4,8H,1-3H2
InChIKeyXYZKFJQHBNKZNY-UHFFFAOYSA-N
MW259.92 g/mol
LogP1.60
Rot. Bonds1

About 2-(dibromomethyl)oxolan-2-ol

2-(dibromomethyl)oxolan-2-ol (PubChem CID 15091991) has the molecular formula C5H8Br2O2 and a molecular weight of 259.92 g/mol. Its IUPAC name is 2-(dibromomethyl)oxolan-2-ol.

Molecular Properties

Compound Name2-(dibromomethyl)oxolan-2-ol
PubChem CID15091991
Molecular FormulaC5H8Br2O2
Molecular Weight259.92 g/mol
Exact Mass257.89
IUPAC Name2-(dibromomethyl)oxolan-2-ol
SMILESOC1(C(Br)Br)CCCO1
InChIInChI=1S/C5H8Br2O2/c6-4(7)5(8)2-1-3-9-5/h4,8H,1-3H2
InChIKeyXYZKFJQHBNKZNY-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.92
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(dibromomethyl)oxolan-2-ol?
The IUPAC name of 2-(dibromomethyl)oxolan-2-ol (CID 15091991) is 2-(dibromomethyl)oxolan-2-ol.
What is the SMILES notation for 2-(dibromomethyl)oxolan-2-ol?
The canonical SMILES for 2-(dibromomethyl)oxolan-2-ol is OC1(C(Br)Br)CCCO1.
What is the InChIKey of 2-(dibromomethyl)oxolan-2-ol?
The InChIKey is XYZKFJQHBNKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2O2/c6-4(7)5(8)2-1-3-9-5/h4,8H,1-3H2.
What are the key properties of 2-(dibromomethyl)oxolan-2-ol?
2-(dibromomethyl)oxolan-2-ol has a molecular weight of 259.92 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)oxolan-2-ol is sourced from PubChem (CID 15091991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).