2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione

C5H8O4Sn — CID 16709545

IUPAC2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione
SMILESC[Sn]1(C)OC(=O)CC(=O)O1
InChIInChI=1S/C3H4O4.2CH3.Sn/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);2*1H3;/q;;;+2/p-2
InChIKeyNYIYHHXYWXLRKW-UHFFFAOYSA-L
MW250.83 g/mol
LogP0.18
Rot. Bonds

About 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione

2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione (PubChem CID 16709545) has the molecular formula C5H8O4Sn and a molecular weight of 250.83 g/mol. Its IUPAC name is 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione
PubChem CID16709545
Molecular FormulaC5H8O4Sn
Molecular Weight250.83 g/mol
Exact Mass251.94
IUPAC Name2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione
SMILESC[Sn]1(C)OC(=O)CC(=O)O1
InChIInChI=1S/C3H4O4.2CH3.Sn/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);2*1H3;/q;;;+2/p-2
InChIKeyNYIYHHXYWXLRKW-UHFFFAOYSA-L
XLogP0.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.83
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-ethyl-1,3-dioxane-4,6-dione
CID 69248636
(5S)-5-methyloxolane-2,4-dione
CID 67483929
(5R)-5-methyloxolane-2,4-dione
CID 130687098
6-tert-butyloxan-2-one;ethane
CID 144908512
6-methyloxan-2-one
CID 160564586
1,3,5,7-tetraoxecane-8,10-dione
CID 129027461
1,5-dioxacycloheptadecane-2,4-dione
CID 11708817
1,5-dioxecane-2,4-dione
CID 11708136
1,4,7,10,13,17,20,23,26,29,33,36,39,42,45-pentadecaoxacyclooctatetracontane-14,16,30,32,46,48-hexone
CID 11029119
1,5,29,33-tetraoxacyclohexapentacontane-2,4,30,32-tetrone
CID 102188033
1,3,7-trioxecane-4,6,8,10-tetrone
CID 58502714
2-(5-methylnonan-5-yl)-1,3-dioxane-4,6-dione
CID 152576161

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione?
The IUPAC name of 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione (CID 16709545) is 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione is C[Sn]1(C)OC(=O)CC(=O)O1.
What is the InChIKey of 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione?
The InChIKey is NYIYHHXYWXLRKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O4.2CH3.Sn/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);2*1H3;/q;;;+2/p-2.
What are the key properties of 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione?
2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione has a molecular weight of 250.83 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3,2-dioxastanninane-4,6-dione is sourced from PubChem (CID 16709545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).