3-(3-bromo-3-cyclopropylpropyl)oxolane

C10H17BrO — CID 64508095

IUPAC3-(3-bromo-3-cyclopropylpropyl)oxolane
SMILESBrC(CCC1CCOC1)C1CC1
InChIInChI=1S/C10H17BrO/c11-10(9-2-3-9)4-1-8-5-6-12-7-8/h8-10H,1-7H2
InChIKeyLSXQUBIOXCRMMD-UHFFFAOYSA-N
MW233.15 g/mol
LogP2.98
Rot. Bonds4

About 3-(3-bromo-3-cyclopropylpropyl)oxolane

3-(3-bromo-3-cyclopropylpropyl)oxolane (PubChem CID 64508095) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 3-(3-bromo-3-cyclopropylpropyl)oxolane.

Molecular Properties

Compound Name3-(3-bromo-3-cyclopropylpropyl)oxolane
PubChem CID64508095
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name3-(3-bromo-3-cyclopropylpropyl)oxolane
SMILESBrC(CCC1CCOC1)C1CC1
InChIInChI=1S/C10H17BrO/c11-10(9-2-3-9)4-1-8-5-6-12-7-8/h8-10H,1-7H2
InChIKeyLSXQUBIOXCRMMD-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 52.98
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 3-(3-bromo-3-cyclopropylpropyl)oxolane?
The IUPAC name of 3-(3-bromo-3-cyclopropylpropyl)oxolane (CID 64508095) is 3-(3-bromo-3-cyclopropylpropyl)oxolane.
What is the SMILES notation for 3-(3-bromo-3-cyclopropylpropyl)oxolane?
The canonical SMILES for 3-(3-bromo-3-cyclopropylpropyl)oxolane is BrC(CCC1CCOC1)C1CC1.
What is the InChIKey of 3-(3-bromo-3-cyclopropylpropyl)oxolane?
The InChIKey is LSXQUBIOXCRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c11-10(9-2-3-9)4-1-8-5-6-12-7-8/h8-10H,1-7H2.
What are the key properties of 3-(3-bromo-3-cyclopropylpropyl)oxolane?
3-(3-bromo-3-cyclopropylpropyl)oxolane has a molecular weight of 233.15 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-3-cyclopropylpropyl)oxolane is sourced from PubChem (CID 64508095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).