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

C14H28O5Si — CID 91701870

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
SMILESCOC(=O)C(O[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)19-11(12(15)16-6)10-9-17-14(4,5)18-10/h10-11H,9H2,1-8H3
InChIKeyIRTFOXWHBZJAIX-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.70
Rot. Bonds4

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

methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate (PubChem CID 91701870) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
PubChem CID91701870
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
SMILESCOC(=O)C(O[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)19-11(12(15)16-6)10-9-17-14(4,5)18-10/h10-11H,9H2,1-8H3
InChIKeyIRTFOXWHBZJAIX-UHFFFAOYSA-N
XLogP2.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.70
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

Threono-1,4-lactone, bis-TMS
CID 523398
(3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-one
CID 6427168
(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
(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
Bis(trimethylsilyl)-3-deoxy-2-C-(hydroxymethyl)-tetrono-1,4-lactone
CID 523355
Methyl 3,4-O-isopropylidene-L-threonate, TMS derivative
CID 91701873
3-(tert-butyldimethylsilyloxy)dihydrofuran-2(3H)-one
CID 5046241
(S)-2-(tert-Butyldimethylsilyloxy)-g-butyrolactone
CID 10965951
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11778119
Dimethyl (S)-2-[(tert-Butyldimethylsilyl)oxy]succinate
CID 22214952

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate (CID 91701870) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate is COC(=O)C(O[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
The InChIKey is IRTFOXWHBZJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-13(2,3)20(7,8)19-11(12(15)16-6)10-9-17-14(4,5)18-10/h10-11H,9H2,1-8H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate has a molecular weight of 304.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate is sourced from PubChem (CID 91701870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).