2-(2-bromoethyl)-5-methyloxolane

C7H13BrO — CID 82840525

IUPAC2-(2-bromoethyl)-5-methyloxolane
SMILESCC1CCC(CCBr)O1
InChIInChI=1S/C7H13BrO/c1-6-2-3-7(9-6)4-5-8/h6-7H,2-5H2,1H3
InChIKeyOBCIXCPTEKXRTJ-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.34
Rot. Bonds2

About 2-(2-bromoethyl)-5-methyloxolane

2-(2-bromoethyl)-5-methyloxolane (PubChem CID 82840525) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 2-(2-bromoethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(2-bromoethyl)-5-methyloxolane
PubChem CID82840525
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name2-(2-bromoethyl)-5-methyloxolane
SMILESCC1CCC(CCBr)O1
InChIInChI=1S/C7H13BrO/c1-6-2-3-7(9-6)4-5-8/h6-7H,2-5H2,1H3
InChIKeyOBCIXCPTEKXRTJ-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromoethyl)-5-methyloxolane?
The IUPAC name of 2-(2-bromoethyl)-5-methyloxolane (CID 82840525) is 2-(2-bromoethyl)-5-methyloxolane.
What is the SMILES notation for 2-(2-bromoethyl)-5-methyloxolane?
The canonical SMILES for 2-(2-bromoethyl)-5-methyloxolane is CC1CCC(CCBr)O1.
What is the InChIKey of 2-(2-bromoethyl)-5-methyloxolane?
The InChIKey is OBCIXCPTEKXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-6-2-3-7(9-6)4-5-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-(2-bromoethyl)-5-methyloxolane?
2-(2-bromoethyl)-5-methyloxolane has a molecular weight of 193.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-5-methyloxolane is sourced from PubChem (CID 82840525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).