5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one

C13H26O4Si — CID 23241041

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)15-9-8-10-11(14)17-13(4,5)16-10/h10H,8-9H2,1-7H3
InChIKeyWALPPAFJTQZXHD-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.08
Rot. Bonds4

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 23241041) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID23241041
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)15-9-8-10-11(14)17-13(4,5)16-10/h10H,8-9H2,1-7H3
InChIKeyWALPPAFJTQZXHD-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
(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
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
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
(3S)-3-triethylsilyloxyoxolan-2-one
CID 25208476
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
CID 102257346
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10335211
(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethyl-1,3-dioxolan-4-one
CID 11277351

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 23241041) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)C(CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is WALPPAFJTQZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)15-9-8-10-11(14)17-13(4,5)16-10/h10H,8-9H2,1-7H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 274.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 23241041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).