3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione

C11H20O4Si — CID 174975995

IUPAC3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione
SMILESC[SiH](C)OC1(C(C)(C)C)CCC(=O)OC1=O
InChIInChI=1S/C11H20O4Si/c1-10(2,3)11(15-16(4)5)7-6-8(12)14-9(11)13/h16H,6-7H2,1-5H3
InChIKeyIYUKGEMHUUKYKN-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.63
Rot. Bonds2

About 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione

3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione (PubChem CID 174975995) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione.

Molecular Properties

Compound Name3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione
PubChem CID174975995
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione
SMILESC[SiH](C)OC1(C(C)(C)C)CCC(=O)OC1=O
InChIInChI=1S/C11H20O4Si/c1-10(2,3)11(15-16(4)5)7-6-8(12)14-9(11)13/h16H,6-7H2,1-5H3
InChIKeyIYUKGEMHUUKYKN-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-3-dimethylsilyloxyoxan-2-one
CID 173360235
4-tert-butyl-4-dimethylsilyloxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 173313130
3,3-dichlorooxane-2,6-dione
CID 54338163
3,3-dimethyloxane-2,6-dione;ethanol
CID 158820493
(5R)-9-oxa-1-azaspiro[4.5]decane-2,8,10-trione
CID 12939009
3,4-ditert-butyl-3-methyloxolane-2,5-dione
CID 134260914
5-tert-butyl-5-(3-methylbutan-2-yl)oxolan-2-one
CID 155359006
5-iodo-5-methyloxolan-2-one
CID 129281770
7-tert-butylspiro[1-benzofuran-3,5'-oxolane]-2,2'-dione
CID 11807424
3,3-dimethyl-1,4-oxathiane-2,6-dione
CID 87544579
3-propyl-3-silyloxolane-2,5-dione
CID 157396768
(5S)-5-(1-dimethylsilyl-1-hydroxy-2,2-dimethylpropyl)oxolan-2-one
CID 173164127

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione?
The IUPAC name of 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione (CID 174975995) is 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione.
What is the SMILES notation for 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione?
The canonical SMILES for 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione is C[SiH](C)OC1(C(C)(C)C)CCC(=O)OC1=O.
What is the InChIKey of 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione?
The InChIKey is IYUKGEMHUUKYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-10(2,3)11(15-16(4)5)7-6-8(12)14-9(11)13/h16H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione?
3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione has a molecular weight of 244.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-dimethylsilyloxyoxane-2,6-dione is sourced from PubChem (CID 174975995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).