5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one

C20H23IO3Sn — CID 11006205

IUPAC5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(CCC[Sn](I)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C8H13O3.2C6H5.HI.Sn/c1-4-5-6-7(9)11-8(2,3)10-6;2*1-2-4-6-5-3-1;;/h6H,1,4-5H2,2-3H3;2*1-5H;1H;/q;;;;+1/p-1
InChIKeyXBYKIABVIMLWRD-UHFFFAOYSA-M
MW557.02 g/mol
LogP3.64
Rot. Bonds6

About 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one

5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 11006205) has the molecular formula C20H23IO3Sn and a molecular weight of 557.02 g/mol. Its IUPAC name is 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID11006205
Molecular FormulaC20H23IO3Sn
Molecular Weight557.02 g/mol
Exact Mass557.97
IUPAC Name5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(CCC[Sn](I)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C8H13O3.2C6H5.HI.Sn/c1-4-5-6-7(9)11-8(2,3)10-6;2*1-2-4-6-5-3-1;;/h6H,1,4-5H2,2-3H3;2*1-5H;1H;/q;;;;+1/p-1
InChIKeyXBYKIABVIMLWRD-UHFFFAOYSA-M
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.02
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 10952040
CID 10952040
(5S)-5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 11229802
(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 10975778
5-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 54749074
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)ethyl methanesulfonate
CID 22639903
(5R)-5-(isocyanatomethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 130647616
(5R)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-one
CID 11769758
methyl 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 129184793
(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 163955242
5-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid;2-hydroxy-7-methoxy-7-oxoheptanoic acid
CID 162028248
(5S)-2,2-dimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-dioxolan-4-one
CID 125479499
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450

Frequently Asked Questions

What is the IUPAC name of 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 11006205) is 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)C(CCC[Sn](I)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is XBYKIABVIMLWRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13O3.2C6H5.HI.Sn/c1-4-5-6-7(9)11-8(2,3)10-6;2*1-2-4-6-5-3-1;;/h6H,1,4-5H2,2-3H3;2*1-5H;1H;/q;;;;+1/p-1.
What are the key properties of 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one?
5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 557.02 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[iodo(diphenyl)stannyl]propyl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 11006205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).