2-(iodomethyl)-1-oxaspiro[2.6]nonane

C9H15IO — CID 10400676

IUPAC2-(iodomethyl)-1-oxaspiro[2.6]nonane
SMILESICC1OC12CCCCCC2
InChIInChI=1S/C9H15IO/c10-7-8-9(11-8)5-3-1-2-4-6-9/h8H,1-7H2
InChIKeyJOLRBXMVVKDKET-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.91
Rot. Bonds1

About 2-(iodomethyl)-1-oxaspiro[2.6]nonane

2-(iodomethyl)-1-oxaspiro[2.6]nonane (PubChem CID 10400676) has the molecular formula C9H15IO and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-(iodomethyl)-1-oxaspiro[2.6]nonane.

Molecular Properties

Compound Name2-(iodomethyl)-1-oxaspiro[2.6]nonane
PubChem CID10400676
Molecular FormulaC9H15IO
Molecular Weight266.12 g/mol
Exact Mass266.02
IUPAC Name2-(iodomethyl)-1-oxaspiro[2.6]nonane
SMILESICC1OC12CCCCCC2
InChIInChI=1S/C9H15IO/c10-7-8-9(11-8)5-3-1-2-4-6-9/h8H,1-7H2
InChIKeyJOLRBXMVVKDKET-UHFFFAOYSA-N
XLogP2.91
TPSA12.53 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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-oxaspiro[2.5]octane
CID 10877532
1-oxaspiro[2.5]octane-2-carbaldehyde
CID 11137244
5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130582614
3-methyl-1-oxaspiro[3.5]nonane
CID 10855548
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
ethyl (2S)-1-oxaspiro[2.5]octane-2-carboxylate
CID 908432
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
1-oxaspiro[4.5]decan-3-amine
CID 19040159
3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
1-oxaspiro[2.7]decane
CID 13240757
2-(1-oxaspiro[5.5]undecan-2-yl)ethanamine
CID 130585875

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1-oxaspiro[2.6]nonane?
The IUPAC name of 2-(iodomethyl)-1-oxaspiro[2.6]nonane (CID 10400676) is 2-(iodomethyl)-1-oxaspiro[2.6]nonane.
What is the SMILES notation for 2-(iodomethyl)-1-oxaspiro[2.6]nonane?
The canonical SMILES for 2-(iodomethyl)-1-oxaspiro[2.6]nonane is ICC1OC12CCCCCC2.
What is the InChIKey of 2-(iodomethyl)-1-oxaspiro[2.6]nonane?
The InChIKey is JOLRBXMVVKDKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO/c10-7-8-9(11-8)5-3-1-2-4-6-9/h8H,1-7H2.
What are the key properties of 2-(iodomethyl)-1-oxaspiro[2.6]nonane?
2-(iodomethyl)-1-oxaspiro[2.6]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[2.6]nonane is sourced from PubChem (CID 10400676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).