3-bromo-4-(2-propan-2-yloxyethoxy)oxolane

C9H17BrO3 — CID 114773080

IUPAC3-bromo-4-(2-propan-2-yloxyethoxy)oxolane
SMILESCC(C)OCCOC1COCC1Br
InChIInChI=1S/C9H17BrO3/c1-7(2)12-3-4-13-9-6-11-5-8(9)10/h7-9H,3-6H2,1-2H3
InChIKeyOADFJYZRRYFFOE-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.59
Rot. Bonds5

About 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane

3-bromo-4-(2-propan-2-yloxyethoxy)oxolane (PubChem CID 114773080) has the molecular formula C9H17BrO3 and a molecular weight of 253.14 g/mol. Its IUPAC name is 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane.

Molecular Properties

Compound Name3-bromo-4-(2-propan-2-yloxyethoxy)oxolane
PubChem CID114773080
Molecular FormulaC9H17BrO3
Molecular Weight253.14 g/mol
Exact Mass252.04
IUPAC Name3-bromo-4-(2-propan-2-yloxyethoxy)oxolane
SMILESCC(C)OCCOC1COCC1Br
InChIInChI=1S/C9H17BrO3/c1-7(2)12-3-4-13-9-6-11-5-8(9)10/h7-9H,3-6H2,1-2H3
InChIKeyOADFJYZRRYFFOE-UHFFFAOYSA-N
XLogP1.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(3-methylbutoxy)oxolane
CID 114772954
3-bromo-4-(4-methylpentoxy)oxolane
CID 114773444
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160
3-bromo-4-butoxyoxolane
CID 114772096
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
CID 79856249
[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867
4-propan-2-yl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-ol
CID 62708658
1-methyl-4-(2-propan-2-yloxyethoxy)piperidin-3-amine
CID 134434456
[4-methyl-2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428865
3-(2-propan-2-yloxyethoxy)cyclobutan-1-one
CID 66368451
4-tert-butyl-2-(2-propan-2-yloxyethoxy)cyclohexan-1-amine
CID 43184301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane?
The IUPAC name of 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane (CID 114773080) is 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane.
What is the SMILES notation for 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane?
The canonical SMILES for 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane is CC(C)OCCOC1COCC1Br.
What is the InChIKey of 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane?
The InChIKey is OADFJYZRRYFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO3/c1-7(2)12-3-4-13-9-6-11-5-8(9)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane?
3-bromo-4-(2-propan-2-yloxyethoxy)oxolane has a molecular weight of 253.14 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-propan-2-yloxyethoxy)oxolane is sourced from PubChem (CID 114773080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).