3'-iodospiro[1,3-dioxolane-2,1'-indene]

C11H9IO2 — CID 138965819

IUPAC3'-iodospiro[1,3-dioxolane-2,1'-indene]
SMILESIC1=CC2(OCCO2)c2ccccc21
InChIInChI=1S/C11H9IO2/c12-10-7-11(13-5-6-14-11)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2
InChIKeyAOIGUZBIEAWXGO-UHFFFAOYSA-N
MW300.09 g/mol
LogP2.68
Rot. Bonds

About 3'-iodospiro[1,3-dioxolane-2,1'-indene]

3'-iodospiro[1,3-dioxolane-2,1'-indene] (PubChem CID 138965819) has the molecular formula C11H9IO2 and a molecular weight of 300.09 g/mol. Its IUPAC name is 3'-iodospiro[1,3-dioxolane-2,1'-indene].

Molecular Properties

Compound Name3'-iodospiro[1,3-dioxolane-2,1'-indene]
PubChem CID138965819
Molecular FormulaC11H9IO2
Molecular Weight300.09 g/mol
Exact Mass299.96
IUPAC Name3'-iodospiro[1,3-dioxolane-2,1'-indene]
SMILESIC1=CC2(OCCO2)c2ccccc21
InChIInChI=1S/C11H9IO2/c12-10-7-11(13-5-6-14-11)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2
InChIKeyAOIGUZBIEAWXGO-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.09
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)-2-methyl-1,3-dioxolane
CID 5028728
carbon monoxide;chromium(6+);spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 11986145
CID 14592987
CID 14592987
spiro[1,4-dihydroisochromene-3,3'-2-benzofuran]-1'-one
CID 15194336
1'-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-2'-methylspiro[1,3-dioxolane-2,4'-naphthalene]-1'-ol
CID 87741549
2-(2-bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
2-(2-iodophenyl)-2-phenyloxirane
CID 10870963
5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one
CID 11630125
16,17-diiodohexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene
CID 11398112
1,1,3,3-tetramethylspiro[cyclobutane-2,9'-fluorene]
CID 153467797
CID 11673102
CID 11673102
9H-fluorene;trihydrofluoride
CID 172854917

Frequently Asked Questions

What is the IUPAC name of 3'-iodospiro[1,3-dioxolane-2,1'-indene]?
The IUPAC name of 3'-iodospiro[1,3-dioxolane-2,1'-indene] (CID 138965819) is 3'-iodospiro[1,3-dioxolane-2,1'-indene].
What is the SMILES notation for 3'-iodospiro[1,3-dioxolane-2,1'-indene]?
The canonical SMILES for 3'-iodospiro[1,3-dioxolane-2,1'-indene] is IC1=CC2(OCCO2)c2ccccc21.
What is the InChIKey of 3'-iodospiro[1,3-dioxolane-2,1'-indene]?
The InChIKey is AOIGUZBIEAWXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO2/c12-10-7-11(13-5-6-14-11)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2.
What are the key properties of 3'-iodospiro[1,3-dioxolane-2,1'-indene]?
3'-iodospiro[1,3-dioxolane-2,1'-indene] has a molecular weight of 300.09 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-iodospiro[1,3-dioxolane-2,1'-indene] is sourced from PubChem (CID 138965819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).