2-(bromomethyl)-1-oxaspiro[4.4]nonane

C9H15BrO — CID 13487209

IUPAC2-(bromomethyl)-1-oxaspiro[4.4]nonane
SMILESBrCC1CCC2(CCCC2)O1
InChIInChI=1S/C9H15BrO/c10-7-8-3-6-9(11-8)4-1-2-5-9/h8H,1-7H2
InChIKeyHGXVTGSQNLKFAK-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.87
Rot. Bonds1

About 2-(bromomethyl)-1-oxaspiro[4.4]nonane

2-(bromomethyl)-1-oxaspiro[4.4]nonane (PubChem CID 13487209) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 2-(bromomethyl)-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(bromomethyl)-1-oxaspiro[4.4]nonane
PubChem CID13487209
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name2-(bromomethyl)-1-oxaspiro[4.4]nonane
SMILESBrCC1CCC2(CCCC2)O1
InChIInChI=1S/C9H15BrO/c10-7-8-3-6-9(11-8)4-1-2-5-9/h8H,1-7H2
InChIKeyHGXVTGSQNLKFAK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-1-oxaspiro[4.5]decane
CID 85584887
2-(Bromomethyl)-1-oxaspiro[4.6]undecane
CID 130582517
1-Oxaspiro[4.4]nonane
CID 12630234
2-(Bromomethyl)-1-oxaspiro[4.5]decane
CID 14560570
2,8-Dideuterio-1-oxaspiro[4.4]nonane
CID 151578390
(3aR,6aR)-2-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 12857357
{[1-(Bromomethyl)cyclopentyl]oxy}cycloheptane
CID 62107804
1-(Bromomethyl)-1-(cyclopentyloxy)cycloheptane
CID 62113874
2-[(2-Bromocyclopentyl)methyl]oxolane
CID 62550359
1-(Bromomethyl)-1-(heptyloxy)cyclopentane
CID 63475837
1-(Bromomethyl)-1-(octyloxy)cyclopentane
CID 63475846
1-(Bromomethyl)-1-(octan-2-yloxy)cyclopentane
CID 63476200

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-(bromomethyl)-1-oxaspiro[4.4]nonane (CID 13487209) is 2-(bromomethyl)-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-(bromomethyl)-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-(bromomethyl)-1-oxaspiro[4.4]nonane is BrCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(bromomethyl)-1-oxaspiro[4.4]nonane?
The InChIKey is HGXVTGSQNLKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c10-7-8-3-6-9(11-8)4-1-2-5-9/h8H,1-7H2.
What are the key properties of 2-(bromomethyl)-1-oxaspiro[4.4]nonane?
2-(bromomethyl)-1-oxaspiro[4.4]nonane has a molecular weight of 219.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 13487209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).