5-(1-bromoethyl)-2,2-dimethyloxolane

C8H15BrO — CID 174761141

IUPAC5-(1-bromoethyl)-2,2-dimethyloxolane
SMILESCC(Br)C1CCC(C)(C)O1
InChIInChI=1S/C8H15BrO/c1-6(9)7-4-5-8(2,3)10-7/h6-7H,4-5H2,1-3H3
InChIKeyVUKACTDKMKNACB-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds1

About 5-(1-bromoethyl)-2,2-dimethyloxolane

5-(1-bromoethyl)-2,2-dimethyloxolane (PubChem CID 174761141) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 5-(1-bromoethyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(1-bromoethyl)-2,2-dimethyloxolane
PubChem CID174761141
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name5-(1-bromoethyl)-2,2-dimethyloxolane
SMILESCC(Br)C1CCC(C)(C)O1
InChIInChI=1S/C8H15BrO/c1-6(9)7-4-5-8(2,3)10-7/h6-7H,4-5H2,1-3H3
InChIKeyVUKACTDKMKNACB-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.73
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 5-(1-bromoethyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(1-bromoethyl)-2,2-dimethyloxolane (CID 174761141) is 5-(1-bromoethyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(1-bromoethyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(1-bromoethyl)-2,2-dimethyloxolane is CC(Br)C1CCC(C)(C)O1.
What is the InChIKey of 5-(1-bromoethyl)-2,2-dimethyloxolane?
The InChIKey is VUKACTDKMKNACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c1-6(9)7-4-5-8(2,3)10-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-(1-bromoethyl)-2,2-dimethyloxolane?
5-(1-bromoethyl)-2,2-dimethyloxolane has a molecular weight of 207.11 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromoethyl)-2,2-dimethyloxolane is sourced from PubChem (CID 174761141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).