5-(4-bromopentyl)-2,2-dimethyloxolane

C11H21BrO — CID 116524361

IUPAC5-(4-bromopentyl)-2,2-dimethyloxolane
SMILESCC(Br)CCCC1CCC(C)(C)O1
InChIInChI=1S/C11H21BrO/c1-9(12)5-4-6-10-7-8-11(2,3)13-10/h9-10H,4-8H2,1-3H3
InChIKeyJDOUCECWWAUNBY-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.90
Rot. Bonds4

About 5-(4-bromopentyl)-2,2-dimethyloxolane

5-(4-bromopentyl)-2,2-dimethyloxolane (PubChem CID 116524361) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 5-(4-bromopentyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(4-bromopentyl)-2,2-dimethyloxolane
PubChem CID116524361
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name5-(4-bromopentyl)-2,2-dimethyloxolane
SMILESCC(Br)CCCC1CCC(C)(C)O1
InChIInChI=1S/C11H21BrO/c1-9(12)5-4-6-10-7-8-11(2,3)13-10/h9-10H,4-8H2,1-3H3
InChIKeyJDOUCECWWAUNBY-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.90
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-(4-bromopentyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(4-bromopentyl)-2,2-dimethyloxolane (CID 116524361) is 5-(4-bromopentyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(4-bromopentyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(4-bromopentyl)-2,2-dimethyloxolane is CC(Br)CCCC1CCC(C)(C)O1.
What is the InChIKey of 5-(4-bromopentyl)-2,2-dimethyloxolane?
The InChIKey is JDOUCECWWAUNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-9(12)5-4-6-10-7-8-11(2,3)13-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(4-bromopentyl)-2,2-dimethyloxolane?
5-(4-bromopentyl)-2,2-dimethyloxolane has a molecular weight of 249.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromopentyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116524361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).