3-bromo-4-(oxolan-3-ylmethoxy)oxolane

C9H15BrO3 — CID 114773818

IUPAC3-bromo-4-(oxolan-3-ylmethoxy)oxolane
SMILESBrC1COCC1OCC1CCOC1
InChIInChI=1S/C9H15BrO3/c10-8-5-12-6-9(8)13-4-7-1-2-11-3-7/h7-9H,1-6H2
InChIKeyMLRNJOGUYBOKBS-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.20
Rot. Bonds3

About 3-bromo-4-(oxolan-3-ylmethoxy)oxolane

3-bromo-4-(oxolan-3-ylmethoxy)oxolane (PubChem CID 114773818) has the molecular formula C9H15BrO3 and a molecular weight of 251.12 g/mol. Its IUPAC name is 3-bromo-4-(oxolan-3-ylmethoxy)oxolane.

Molecular Properties

Compound Name3-bromo-4-(oxolan-3-ylmethoxy)oxolane
PubChem CID114773818
Molecular FormulaC9H15BrO3
Molecular Weight251.12 g/mol
Exact Mass250.02
IUPAC Name3-bromo-4-(oxolan-3-ylmethoxy)oxolane
SMILESBrC1COCC1OCC1CCOC1
InChIInChI=1S/C9H15BrO3/c10-8-5-12-6-9(8)13-4-7-1-2-11-3-7/h7-9H,1-6H2
InChIKeyMLRNJOGUYBOKBS-UHFFFAOYSA-N
XLogP1.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-5-(oxolan-3-ylmethoxy)cyclopentan-1-amine
CID 79856400
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
ethane;3-(methoxymethyl)oxolane
CID 143285946
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912
2-ethoxy-N-methyl-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
CID 104676439
3-(cyclohexylmethoxy)oxan-4-ol
CID 62383586
3-bromo-4-butoxyoxolane
CID 114772096
2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
CID 114032285
3-(bromomethyl)oxolane
CID 14173422
3-bromo-4-(4-methylpentoxy)oxolane
CID 114773444
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(oxolan-3-ylmethoxy)oxolane?
The IUPAC name of 3-bromo-4-(oxolan-3-ylmethoxy)oxolane (CID 114773818) is 3-bromo-4-(oxolan-3-ylmethoxy)oxolane.
What is the SMILES notation for 3-bromo-4-(oxolan-3-ylmethoxy)oxolane?
The canonical SMILES for 3-bromo-4-(oxolan-3-ylmethoxy)oxolane is BrC1COCC1OCC1CCOC1.
What is the InChIKey of 3-bromo-4-(oxolan-3-ylmethoxy)oxolane?
The InChIKey is MLRNJOGUYBOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO3/c10-8-5-12-6-9(8)13-4-7-1-2-11-3-7/h7-9H,1-6H2.
What are the key properties of 3-bromo-4-(oxolan-3-ylmethoxy)oxolane?
3-bromo-4-(oxolan-3-ylmethoxy)oxolane has a molecular weight of 251.12 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(oxolan-3-ylmethoxy)oxolane is sourced from PubChem (CID 114773818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).