2-(1-bromoethyl)-5-propan-2-yloxolane

C9H17BrO — CID 71321882

IUPAC2-(1-bromoethyl)-5-propan-2-yloxolane
SMILESCC(C)C1CCC(C(C)Br)O1
InChIInChI=1S/C9H17BrO/c1-6(2)8-4-5-9(11-8)7(3)10/h6-9H,4-5H2,1-3H3
InChIKeyPCRLLXZNPJJOFB-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.97
Rot. Bonds2

About 2-(1-bromoethyl)-5-propan-2-yloxolane

2-(1-bromoethyl)-5-propan-2-yloxolane (PubChem CID 71321882) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-(1-bromoethyl)-5-propan-2-yloxolane.

Molecular Properties

Compound Name2-(1-bromoethyl)-5-propan-2-yloxolane
PubChem CID71321882
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name2-(1-bromoethyl)-5-propan-2-yloxolane
SMILESCC(C)C1CCC(C(C)Br)O1
InChIInChI=1S/C9H17BrO/c1-6(2)8-4-5-9(11-8)7(3)10/h6-9H,4-5H2,1-3H3
InChIKeyPCRLLXZNPJJOFB-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.97
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-(1-bromoethyl)-5-propan-2-yloxolane?
The IUPAC name of 2-(1-bromoethyl)-5-propan-2-yloxolane (CID 71321882) is 2-(1-bromoethyl)-5-propan-2-yloxolane.
What is the SMILES notation for 2-(1-bromoethyl)-5-propan-2-yloxolane?
The canonical SMILES for 2-(1-bromoethyl)-5-propan-2-yloxolane is CC(C)C1CCC(C(C)Br)O1.
What is the InChIKey of 2-(1-bromoethyl)-5-propan-2-yloxolane?
The InChIKey is PCRLLXZNPJJOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-6(2)8-4-5-9(11-8)7(3)10/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(1-bromoethyl)-5-propan-2-yloxolane?
2-(1-bromoethyl)-5-propan-2-yloxolane has a molecular weight of 221.14 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-5-propan-2-yloxolane is sourced from PubChem (CID 71321882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).