2-(2,2,3,3,3-pentabromopropoxy)oxolane

C7H9Br5O2 — CID 18927726

IUPAC2-(2,2,3,3,3-pentabromopropoxy)oxolane
SMILESBrC(Br)(Br)C(Br)(Br)COC1CCCO1
InChIInChI=1S/C7H9Br5O2/c8-6(9,7(10,11)12)4-14-5-2-1-3-13-5/h5H,1-4H2
InChIKeyMQMORAJOSXPNCT-UHFFFAOYSA-N
MW524.67 g/mol
LogP4.46
Rot. Bonds3

About 2-(2,2,3,3,3-pentabromopropoxy)oxolane

2-(2,2,3,3,3-pentabromopropoxy)oxolane (PubChem CID 18927726) has the molecular formula C7H9Br5O2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentabromopropoxy)oxolane.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentabromopropoxy)oxolane
PubChem CID18927726
Molecular FormulaC7H9Br5O2
Molecular Weight524.67 g/mol
Exact Mass519.65
IUPAC Name2-(2,2,3,3,3-pentabromopropoxy)oxolane
SMILESBrC(Br)(Br)C(Br)(Br)COC1CCCO1
InChIInChI=1S/C7H9Br5O2/c8-6(9,7(10,11)12)4-14-5-2-1-3-13-5/h5H,1-4H2
InChIKeyMQMORAJOSXPNCT-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
1-(4-benzoylphenyl)-2-hydroxy-2-methyl-3-(oxolan-2-yloxy)propan-1-one
CID 19878501
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
CID 169311786
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-(12-bromododecoxy)oxane
CID 11078592
2-but-2-enoxyoxolane
CID 86088707
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
(E)-2-bromo-4-(oxan-2-yloxy)but-2-enoic acid
CID 87487170
2-(1,1,1,3,3,3-hexabromopropan-2-yloxy)oxolane
CID 18927784
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(2R)-2-[(2S)-5-bromo-2-methyl-2-phenylpentoxy]oxane
CID 129382393

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentabromopropoxy)oxolane?
The IUPAC name of 2-(2,2,3,3,3-pentabromopropoxy)oxolane (CID 18927726) is 2-(2,2,3,3,3-pentabromopropoxy)oxolane.
What is the SMILES notation for 2-(2,2,3,3,3-pentabromopropoxy)oxolane?
The canonical SMILES for 2-(2,2,3,3,3-pentabromopropoxy)oxolane is BrC(Br)(Br)C(Br)(Br)COC1CCCO1.
What is the InChIKey of 2-(2,2,3,3,3-pentabromopropoxy)oxolane?
The InChIKey is MQMORAJOSXPNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br5O2/c8-6(9,7(10,11)12)4-14-5-2-1-3-13-5/h5H,1-4H2.
What are the key properties of 2-(2,2,3,3,3-pentabromopropoxy)oxolane?
2-(2,2,3,3,3-pentabromopropoxy)oxolane has a molecular weight of 524.67 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentabromopropoxy)oxolane is sourced from PubChem (CID 18927726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).