4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione

C11H20O3Si — CID 173405614

IUPAC4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione
SMILESC[SiH](C)OC1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)7-6-8(12)10(9(7)13)14-15(4)5/h7,10,15H,6H2,1-5H3
InChIKeyVXUHZUOOVGJOPE-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.56
Rot. Bonds2

About 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione

4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione (PubChem CID 173405614) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione.

Molecular Properties

Compound Name4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione
PubChem CID173405614
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione
SMILESC[SiH](C)OC1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C11H20O3Si/c1-11(2,3)7-6-8(12)10(9(7)13)14-15(4)5/h7,10,15H,6H2,1-5H3
InChIKeyVXUHZUOOVGJOPE-UHFFFAOYSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione?
The IUPAC name of 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione (CID 173405614) is 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione.
What is the SMILES notation for 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione?
The canonical SMILES for 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione is C[SiH](C)OC1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione?
The InChIKey is VXUHZUOOVGJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-11(2,3)7-6-8(12)10(9(7)13)14-15(4)5/h7,10,15H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione?
4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione has a molecular weight of 228.36 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-dimethylsilyloxycyclopentane-1,3-dione is sourced from PubChem (CID 173405614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).