2-(4,4-dibromobut-3-en-2-yloxy)oxane

C9H14Br2O2 — CID 14427259

IUPAC2-(4,4-dibromobut-3-en-2-yloxy)oxane
SMILESCC(C=C(Br)Br)OC1CCCCO1
InChIInChI=1S/C9H14Br2O2/c1-7(6-8(10)11)13-9-4-2-3-5-12-9/h6-7,9H,2-5H2,1H3
InChIKeyWXRSMERYKRMVTP-UHFFFAOYSA-N
MW314.02 g/mol
LogP3.55
Rot. Bonds3

About 2-(4,4-dibromobut-3-en-2-yloxy)oxane

2-(4,4-dibromobut-3-en-2-yloxy)oxane (PubChem CID 14427259) has the molecular formula C9H14Br2O2 and a molecular weight of 314.02 g/mol. Its IUPAC name is 2-(4,4-dibromobut-3-en-2-yloxy)oxane.

Molecular Properties

Compound Name2-(4,4-dibromobut-3-en-2-yloxy)oxane
PubChem CID14427259
Molecular FormulaC9H14Br2O2
Molecular Weight314.02 g/mol
Exact Mass311.94
IUPAC Name2-(4,4-dibromobut-3-en-2-yloxy)oxane
SMILESCC(C=C(Br)Br)OC1CCCCO1
InChIInChI=1S/C9H14Br2O2/c1-7(6-8(10)11)13-9-4-2-3-5-12-9/h6-7,9H,2-5H2,1H3
InChIKeyWXRSMERYKRMVTP-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.02
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dibromobut-3-en-2-yloxy)oxane?
The IUPAC name of 2-(4,4-dibromobut-3-en-2-yloxy)oxane (CID 14427259) is 2-(4,4-dibromobut-3-en-2-yloxy)oxane.
What is the SMILES notation for 2-(4,4-dibromobut-3-en-2-yloxy)oxane?
The canonical SMILES for 2-(4,4-dibromobut-3-en-2-yloxy)oxane is CC(C=C(Br)Br)OC1CCCCO1.
What is the InChIKey of 2-(4,4-dibromobut-3-en-2-yloxy)oxane?
The InChIKey is WXRSMERYKRMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2O2/c1-7(6-8(10)11)13-9-4-2-3-5-12-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(4,4-dibromobut-3-en-2-yloxy)oxane?
2-(4,4-dibromobut-3-en-2-yloxy)oxane has a molecular weight of 314.02 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dibromobut-3-en-2-yloxy)oxane is sourced from PubChem (CID 14427259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).