3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane

C13H25BrO — CID 114624288

IUPAC3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane
SMILESCC(Br)CC(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H25BrO/c1-9(7-10(2)14)11-8-12(3,4)15-13(11,5)6/h9-11H,7-8H2,1-6H3
InChIKeyGCTLIWBLMPINIV-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.39
Rot. Bonds3

About 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane

3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane (PubChem CID 114624288) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane.

Molecular Properties

Compound Name3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane
PubChem CID114624288
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane
SMILESCC(Br)CC(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H25BrO/c1-9(7-10(2)14)11-8-12(3,4)15-13(11,5)6/h9-11H,7-8H2,1-6H3
InChIKeyGCTLIWBLMPINIV-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.39
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

3-(3-chlorobutan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114623946
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 79933888
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
[1-(2-methylpropyl)cyclopentyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 115838851
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 105053043
[3-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butyl]hydrazine
CID 105267184
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
CID 105132000
2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 114623082
3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
CID 114621793
N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 114623279

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane?
The IUPAC name of 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane (CID 114624288) is 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane.
What is the SMILES notation for 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane?
The canonical SMILES for 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane is CC(Br)CC(C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane?
The InChIKey is GCTLIWBLMPINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-9(7-10(2)14)11-8-12(3,4)15-13(11,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane?
3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane has a molecular weight of 277.25 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane is sourced from PubChem (CID 114624288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).