3-(2-bromoprop-2-enoxymethyl)oxolane

C8H13BrO2 — CID 131211912

IUPAC3-(2-bromoprop-2-enoxymethyl)oxolane
SMILESC=C(Br)COCC1CCOC1
InChIInChI=1S/C8H13BrO2/c1-7(9)4-11-6-8-2-3-10-5-8/h8H,1-6H2
InChIKeyJSLFUNRCNMWION-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.95
Rot. Bonds4

About 3-(2-bromoprop-2-enoxymethyl)oxolane

3-(2-bromoprop-2-enoxymethyl)oxolane (PubChem CID 131211912) has the molecular formula C8H13BrO2 and a molecular weight of 221.09 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enoxymethyl)oxolane.

Molecular Properties

Compound Name3-(2-bromoprop-2-enoxymethyl)oxolane
PubChem CID131211912
Molecular FormulaC8H13BrO2
Molecular Weight221.09 g/mol
Exact Mass220.01
IUPAC Name3-(2-bromoprop-2-enoxymethyl)oxolane
SMILESC=C(Br)COCC1CCOC1
InChIInChI=1S/C8H13BrO2/c1-7(9)4-11-6-8-2-3-10-5-8/h8H,1-6H2
InChIKeyJSLFUNRCNMWION-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enoxymethyl)oxolane?
The IUPAC name of 3-(2-bromoprop-2-enoxymethyl)oxolane (CID 131211912) is 3-(2-bromoprop-2-enoxymethyl)oxolane.
What is the SMILES notation for 3-(2-bromoprop-2-enoxymethyl)oxolane?
The canonical SMILES for 3-(2-bromoprop-2-enoxymethyl)oxolane is C=C(Br)COCC1CCOC1.
What is the InChIKey of 3-(2-bromoprop-2-enoxymethyl)oxolane?
The InChIKey is JSLFUNRCNMWION-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO2/c1-7(9)4-11-6-8-2-3-10-5-8/h8H,1-6H2.
What are the key properties of 3-(2-bromoprop-2-enoxymethyl)oxolane?
3-(2-bromoprop-2-enoxymethyl)oxolane has a molecular weight of 221.09 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enoxymethyl)oxolane is sourced from PubChem (CID 131211912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).