2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane

C8H13IO2 — CID 130582607

IUPAC2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
SMILESICC1CCC2(CCOC2)O1
InChIInChI=1S/C8H13IO2/c9-5-7-1-2-8(11-7)3-4-10-6-8/h7H,1-6H2
InChIKeyLTHASDABBJPKSZ-UHFFFAOYSA-N
MW268.09 g/mol
LogP1.76
Rot. Bonds1

About 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane

2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane (PubChem CID 130582607) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
PubChem CID130582607
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
SMILESICC1CCC2(CCOC2)O1
InChIInChI=1S/C8H13IO2/c9-5-7-1-2-8(11-7)3-4-10-6-8/h7H,1-6H2
InChIKeyLTHASDABBJPKSZ-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
CID 130582587
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
3-(1,7-dioxaspiro[4.4]nonan-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 146143908
2-[[3-(chloromethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.4]nonane
CID 102902111
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
(3R,5S)-3-(iodomethyl)-2,7-dioxaspiro[4.4]nonane
CID 125456541
(5S,7R)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936611
(5S,7S)-7-ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936612
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
5'-(iodomethyl)spiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130582614
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane?
The IUPAC name of 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane (CID 130582607) is 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane is ICC1CCC2(CCOC2)O1.
What is the InChIKey of 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane?
The InChIKey is LTHASDABBJPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c9-5-7-1-2-8(11-7)3-4-10-6-8/h7H,1-6H2.
What are the key properties of 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane?
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane has a molecular weight of 268.09 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane is sourced from PubChem (CID 130582607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).