4-iodo-1,9-dioxaspiro[5.5]undecane

C9H15IO2 — CID 79923455

IUPAC4-iodo-1,9-dioxaspiro[5.5]undecane
SMILESIC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H15IO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7H2
InChIKeyOBRJKSKMGPBNLL-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.15
Rot. Bonds

About 4-iodo-1,9-dioxaspiro[5.5]undecane

4-iodo-1,9-dioxaspiro[5.5]undecane (PubChem CID 79923455) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 4-iodo-1,9-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-iodo-1,9-dioxaspiro[5.5]undecane
PubChem CID79923455
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name4-iodo-1,9-dioxaspiro[5.5]undecane
SMILESIC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H15IO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7H2
InChIKeyOBRJKSKMGPBNLL-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.15
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

4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
1,9-dioxaspiro[5.5]undecan-4-yl(trifluoro)boranuide
CID 79920073
1,9-dioxaspiro[5.5]undecane-4-carbonitrile
CID 79903637
O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894333
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,9-dioxaspiro[5.5]undecane?
The IUPAC name of 4-iodo-1,9-dioxaspiro[5.5]undecane (CID 79923455) is 4-iodo-1,9-dioxaspiro[5.5]undecane.
What is the SMILES notation for 4-iodo-1,9-dioxaspiro[5.5]undecane?
The canonical SMILES for 4-iodo-1,9-dioxaspiro[5.5]undecane is IC1CCOC2(CCOCC2)C1.
What is the InChIKey of 4-iodo-1,9-dioxaspiro[5.5]undecane?
The InChIKey is OBRJKSKMGPBNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO2/c10-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7H2.
What are the key properties of 4-iodo-1,9-dioxaspiro[5.5]undecane?
4-iodo-1,9-dioxaspiro[5.5]undecane has a molecular weight of 282.12 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,9-dioxaspiro[5.5]undecane is sourced from PubChem (CID 79923455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).