8-bromo-5-oxaspiro[3.5]nonane

C8H13BrO — CID 81223577

IUPAC8-bromo-5-oxaspiro[3.5]nonane
SMILESBrC1CCOC2(CCC2)C1
InChIInChI=1S/C8H13BrO/c9-7-2-5-10-8(6-7)3-1-4-8/h7H,1-6H2
InChIKeyFTEWGHWHMRMMML-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.48
Rot. Bonds

About 8-bromo-5-oxaspiro[3.5]nonane

8-bromo-5-oxaspiro[3.5]nonane (PubChem CID 81223577) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 8-bromo-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-bromo-5-oxaspiro[3.5]nonane
PubChem CID81223577
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name8-bromo-5-oxaspiro[3.5]nonane
SMILESBrC1CCOC2(CCC2)C1
InChIInChI=1S/C8H13BrO/c9-7-2-5-10-8(6-7)3-1-4-8/h7H,1-6H2
InChIKeyFTEWGHWHMRMMML-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.48
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 8-bromo-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-bromo-5-oxaspiro[3.5]nonane (CID 81223577) is 8-bromo-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-bromo-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-bromo-5-oxaspiro[3.5]nonane is BrC1CCOC2(CCC2)C1.
What is the InChIKey of 8-bromo-5-oxaspiro[3.5]nonane?
The InChIKey is FTEWGHWHMRMMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c9-7-2-5-10-8(6-7)3-1-4-8/h7H,1-6H2.
What are the key properties of 8-bromo-5-oxaspiro[3.5]nonane?
8-bromo-5-oxaspiro[3.5]nonane has a molecular weight of 205.09 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 81223577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).