2-(4-bromo-5-methylhexyl)oxolane

C11H21BrO — CID 64507641

IUPAC2-(4-bromo-5-methylhexyl)oxolane
SMILESCC(C)C(Br)CCCC1CCCO1
InChIInChI=1S/C11H21BrO/c1-9(2)11(12)7-3-5-10-6-4-8-13-10/h9-11H,3-8H2,1-2H3
InChIKeyWHYUGCMQLBDYGD-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-bromo-5-methylhexyl)oxolane

2-(4-bromo-5-methylhexyl)oxolane (PubChem CID 64507641) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(4-bromo-5-methylhexyl)oxolane.

Molecular Properties

Compound Name2-(4-bromo-5-methylhexyl)oxolane
PubChem CID64507641
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name2-(4-bromo-5-methylhexyl)oxolane
SMILESCC(C)C(Br)CCCC1CCCO1
InChIInChI=1S/C11H21BrO/c1-9(2)11(12)7-3-5-10-6-4-8-13-10/h9-11H,3-8H2,1-2H3
InChIKeyWHYUGCMQLBDYGD-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.76
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 2-(4-bromo-5-methylhexyl)oxolane?
The IUPAC name of 2-(4-bromo-5-methylhexyl)oxolane (CID 64507641) is 2-(4-bromo-5-methylhexyl)oxolane.
What is the SMILES notation for 2-(4-bromo-5-methylhexyl)oxolane?
The canonical SMILES for 2-(4-bromo-5-methylhexyl)oxolane is CC(C)C(Br)CCCC1CCCO1.
What is the InChIKey of 2-(4-bromo-5-methylhexyl)oxolane?
The InChIKey is WHYUGCMQLBDYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-9(2)11(12)7-3-5-10-6-4-8-13-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(4-bromo-5-methylhexyl)oxolane?
2-(4-bromo-5-methylhexyl)oxolane has a molecular weight of 249.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylhexyl)oxolane is sourced from PubChem (CID 64507641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).