2-(iodomethyl)-1-oxaspiro[3.5]nonane

C9H15IO — CID 24976409

IUPAC2-(iodomethyl)-1-oxaspiro[3.5]nonane
SMILESICC1CC2(CCCCC2)O1
InChIInChI=1S/C9H15IO/c10-7-8-6-9(11-8)4-2-1-3-5-9/h8H,1-7H2
InChIKeyNUYYURDBPMWYLP-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.91
Rot. Bonds1

About 2-(iodomethyl)-1-oxaspiro[3.5]nonane

2-(iodomethyl)-1-oxaspiro[3.5]nonane (PubChem CID 24976409) has the molecular formula C9H15IO and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-(iodomethyl)-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(iodomethyl)-1-oxaspiro[3.5]nonane
PubChem CID24976409
Molecular FormulaC9H15IO
Molecular Weight266.12 g/mol
Exact Mass266.02
IUPAC Name2-(iodomethyl)-1-oxaspiro[3.5]nonane
SMILESICC1CC2(CCCCC2)O1
InChIInChI=1S/C9H15IO/c10-7-8-6-9(11-8)4-2-1-3-5-9/h8H,1-7H2
InChIKeyNUYYURDBPMWYLP-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(iodomethyl)-1-oxaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1-oxaspiro[3.5]nonane?
The IUPAC name of 2-(iodomethyl)-1-oxaspiro[3.5]nonane (CID 24976409) is 2-(iodomethyl)-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 2-(iodomethyl)-1-oxaspiro[3.5]nonane?
The canonical SMILES for 2-(iodomethyl)-1-oxaspiro[3.5]nonane is ICC1CC2(CCCCC2)O1.
What is the InChIKey of 2-(iodomethyl)-1-oxaspiro[3.5]nonane?
The InChIKey is NUYYURDBPMWYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO/c10-7-8-6-9(11-8)4-2-1-3-5-9/h8H,1-7H2.
What are the key properties of 2-(iodomethyl)-1-oxaspiro[3.5]nonane?
2-(iodomethyl)-1-oxaspiro[3.5]nonane has a molecular weight of 266.12 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 24976409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).