5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane

C12H23BrO — CID 116523355

IUPAC5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
SMILESCC(C)C(Br)CCC1CCC(C)(C)O1
InChIInChI=1S/C12H23BrO/c1-9(2)11(13)6-5-10-7-8-12(3,4)14-10/h9-11H,5-8H2,1-4H3
InChIKeyGKRZAIZIQYYFBC-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.14
Rot. Bonds4

About 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane

5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane (PubChem CID 116523355) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
PubChem CID116523355
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
SMILESCC(C)C(Br)CCC1CCC(C)(C)O1
InChIInChI=1S/C12H23BrO/c1-9(2)11(13)6-5-10-7-8-12(3,4)14-10/h9-11H,5-8H2,1-4H3
InChIKeyGKRZAIZIQYYFBC-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.14
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-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane (CID 116523355) is 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane is CC(C)C(Br)CCC1CCC(C)(C)O1.
What is the InChIKey of 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane?
The InChIKey is GKRZAIZIQYYFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-9(2)11(13)6-5-10-7-8-12(3,4)14-10/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane?
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane has a molecular weight of 263.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116523355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).