[tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate

C13H24O5Si — CID 23519143

IUPAC[tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
SMILESCC1(C)OC(=O)C(CC(=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H24O5Si/c1-12(2,3)19(6,7)18-10(14)8-9-11(15)17-13(4,5)16-9/h9H,8H2,1-7H3
InChIKeyUZUBJZMQRZAEFN-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.60
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate

[tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate (PubChem CID 23519143) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
PubChem CID23519143
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
SMILESCC1(C)OC(=O)C(CC(=O)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H24O5Si/c1-12(2,3)19(6,7)18-10(14)8-9-11(15)17-13(4,5)16-9/h9H,8H2,1-7H3
InChIKeyUZUBJZMQRZAEFN-UHFFFAOYSA-N
XLogP2.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 774789
Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 615621
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
methyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 10105987
diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
CID 14640162
dipropan-2-yl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972312
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10401143
methyl (4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 14414632
4,5-Diethyl (4S,5S)-2,2-diethyl-1,3-dioxolane-4,5-dicarboxylate
CID 46217239
diethyl (4S,5S)-2-ethoxy-1,3-dioxolane-4,5-dicarboxylate
CID 102275973
diisopropyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 6712406
Diisopropyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 496154

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate (CID 23519143) is [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate is CC1(C)OC(=O)C(CC(=O)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
The InChIKey is UZUBJZMQRZAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-12(2,3)19(6,7)18-10(14)8-9-11(15)17-13(4,5)16-9/h9H,8H2,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
[tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate has a molecular weight of 288.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate is sourced from PubChem (CID 23519143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).