5-(3-bromohexyl)-2,2-dimethyloxolane

C12H23BrO — CID 116523352

IUPAC5-(3-bromohexyl)-2,2-dimethyloxolane
SMILESCCCC(Br)CCC1CCC(C)(C)O1
InChIInChI=1S/C12H23BrO/c1-4-5-10(13)6-7-11-8-9-12(2,3)14-11/h10-11H,4-9H2,1-3H3
InChIKeyGTJPRQGLOZJCGY-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.29
Rot. Bonds5

About 5-(3-bromohexyl)-2,2-dimethyloxolane

5-(3-bromohexyl)-2,2-dimethyloxolane (PubChem CID 116523352) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-(3-bromohexyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(3-bromohexyl)-2,2-dimethyloxolane
PubChem CID116523352
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name5-(3-bromohexyl)-2,2-dimethyloxolane
SMILESCCCC(Br)CCC1CCC(C)(C)O1
InChIInChI=1S/C12H23BrO/c1-4-5-10(13)6-7-11-8-9-12(2,3)14-11/h10-11H,4-9H2,1-3H3
InChIKeyGTJPRQGLOZJCGY-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
CID 116522578
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
CID 116523324
5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
CID 116523365
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
CID 116524272

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromohexyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(3-bromohexyl)-2,2-dimethyloxolane (CID 116523352) is 5-(3-bromohexyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(3-bromohexyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(3-bromohexyl)-2,2-dimethyloxolane is CCCC(Br)CCC1CCC(C)(C)O1.
What is the InChIKey of 5-(3-bromohexyl)-2,2-dimethyloxolane?
The InChIKey is GTJPRQGLOZJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-4-5-10(13)6-7-11-8-9-12(2,3)14-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-(3-bromohexyl)-2,2-dimethyloxolane?
5-(3-bromohexyl)-2,2-dimethyloxolane has a molecular weight of 263.22 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromohexyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116523352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).