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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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).