7-(bromomethyl)-6-oxaspiro[3.5]nonane

C9H15BrO — CID 131585946

IUPAC7-(bromomethyl)-6-oxaspiro[3.5]nonane
SMILESBrCC1CCC2(CCC2)CO1
InChIInChI=1S/C9H15BrO/c10-6-8-2-5-9(7-11-8)3-1-4-9/h8H,1-7H2
InChIKeyRQVHZQSCRLKNBQ-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.73
Rot. Bonds1

About 7-(bromomethyl)-6-oxaspiro[3.5]nonane

7-(bromomethyl)-6-oxaspiro[3.5]nonane (PubChem CID 131585946) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 7-(bromomethyl)-6-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(bromomethyl)-6-oxaspiro[3.5]nonane
PubChem CID131585946
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name7-(bromomethyl)-6-oxaspiro[3.5]nonane
SMILESBrCC1CCC2(CCC2)CO1
InChIInChI=1S/C9H15BrO/c10-6-8-2-5-9(7-11-8)3-1-4-9/h8H,1-7H2
InChIKeyRQVHZQSCRLKNBQ-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.73
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 7-(bromomethyl)-6-oxaspiro[3.5]nonane?
The IUPAC name of 7-(bromomethyl)-6-oxaspiro[3.5]nonane (CID 131585946) is 7-(bromomethyl)-6-oxaspiro[3.5]nonane.
What is the SMILES notation for 7-(bromomethyl)-6-oxaspiro[3.5]nonane?
The canonical SMILES for 7-(bromomethyl)-6-oxaspiro[3.5]nonane is BrCC1CCC2(CCC2)CO1.
What is the InChIKey of 7-(bromomethyl)-6-oxaspiro[3.5]nonane?
The InChIKey is RQVHZQSCRLKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c10-6-8-2-5-9(7-11-8)3-1-4-9/h8H,1-7H2.
What are the key properties of 7-(bromomethyl)-6-oxaspiro[3.5]nonane?
7-(bromomethyl)-6-oxaspiro[3.5]nonane has a molecular weight of 219.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-6-oxaspiro[3.5]nonane is sourced from PubChem (CID 131585946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).