2-(iodomethyl)-1-oxaspiro[4.7]dodecane

C12H21IO — CID 130582623

IUPAC2-(iodomethyl)-1-oxaspiro[4.7]dodecane
SMILESICC1CCC2(CCCCCCC2)O1
InChIInChI=1S/C12H21IO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10H2
InChIKeyLJBPTJHRFJGHLY-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.08
Rot. Bonds1

About 2-(iodomethyl)-1-oxaspiro[4.7]dodecane

2-(iodomethyl)-1-oxaspiro[4.7]dodecane (PubChem CID 130582623) has the molecular formula C12H21IO and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(iodomethyl)-1-oxaspiro[4.7]dodecane.

Molecular Properties

Compound Name2-(iodomethyl)-1-oxaspiro[4.7]dodecane
PubChem CID130582623
Molecular FormulaC12H21IO
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name2-(iodomethyl)-1-oxaspiro[4.7]dodecane
SMILESICC1CCC2(CCCCCCC2)O1
InChIInChI=1S/C12H21IO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10H2
InChIKeyLJBPTJHRFJGHLY-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1-oxaspiro[4.7]dodecane?
The IUPAC name of 2-(iodomethyl)-1-oxaspiro[4.7]dodecane (CID 130582623) is 2-(iodomethyl)-1-oxaspiro[4.7]dodecane.
What is the SMILES notation for 2-(iodomethyl)-1-oxaspiro[4.7]dodecane?
The canonical SMILES for 2-(iodomethyl)-1-oxaspiro[4.7]dodecane is ICC1CCC2(CCCCCCC2)O1.
What is the InChIKey of 2-(iodomethyl)-1-oxaspiro[4.7]dodecane?
The InChIKey is LJBPTJHRFJGHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO/c13-10-11-6-9-12(14-11)7-4-2-1-3-5-8-12/h11H,1-10H2.
What are the key properties of 2-(iodomethyl)-1-oxaspiro[4.7]dodecane?
2-(iodomethyl)-1-oxaspiro[4.7]dodecane has a molecular weight of 308.20 g/mol, XLogP of 4.08, 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[4.7]dodecane is sourced from PubChem (CID 130582623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).