2-(5-bromo-3,3-dimethylhexyl)oxolane

C12H23BrO — CID 65165426

IUPAC2-(5-bromo-3,3-dimethylhexyl)oxolane
SMILESCC(Br)CC(C)(C)CCC1CCCO1
InChIInChI=1S/C12H23BrO/c1-10(13)9-12(2,3)7-6-11-5-4-8-14-11/h10-11H,4-9H2,1-3H3
InChIKeyCLPMDKOGVGWPDD-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.15
Rot. Bonds5

About 2-(5-bromo-3,3-dimethylhexyl)oxolane

2-(5-bromo-3,3-dimethylhexyl)oxolane (PubChem CID 65165426) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(5-bromo-3,3-dimethylhexyl)oxolane.

Molecular Properties

Compound Name2-(5-bromo-3,3-dimethylhexyl)oxolane
PubChem CID65165426
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name2-(5-bromo-3,3-dimethylhexyl)oxolane
SMILESCC(Br)CC(C)(C)CCC1CCCO1
InChIInChI=1S/C12H23BrO/c1-10(13)9-12(2,3)7-6-11-5-4-8-14-11/h10-11H,4-9H2,1-3H3
InChIKeyCLPMDKOGVGWPDD-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-3,3-dimethylhexyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159
3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 65161696
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
2-[4-(chloromethyl)-4,5-dimethylhexyl]oxolane
CID 83152456
2-(5-bromoheptyl)oxolane
CID 65166211
2-[3-(bromomethyl)-4,4-dimethylpentyl]oxolane
CID 83141240
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,3-dimethylhexyl)oxolane?
The IUPAC name of 2-(5-bromo-3,3-dimethylhexyl)oxolane (CID 65165426) is 2-(5-bromo-3,3-dimethylhexyl)oxolane.
What is the SMILES notation for 2-(5-bromo-3,3-dimethylhexyl)oxolane?
The canonical SMILES for 2-(5-bromo-3,3-dimethylhexyl)oxolane is CC(Br)CC(C)(C)CCC1CCCO1.
What is the InChIKey of 2-(5-bromo-3,3-dimethylhexyl)oxolane?
The InChIKey is CLPMDKOGVGWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-10(13)9-12(2,3)7-6-11-5-4-8-14-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(5-bromo-3,3-dimethylhexyl)oxolane?
2-(5-bromo-3,3-dimethylhexyl)oxolane has a molecular weight of 263.22 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,3-dimethylhexyl)oxolane is sourced from PubChem (CID 65165426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).