1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone

C13H26O4Si — CID 71346096

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone
SMILESCC[Si](CC)(CC)OCC(=O)C1COC(C)(C)O1
InChIInChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)16-9-11(14)12-10-15-13(4,5)17-12/h12H,6-10H2,1-5H3
InChIKeyPZZAJNNGEPTUMA-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds7

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone (PubChem CID 71346096) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone
PubChem CID71346096
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone
SMILESCC[Si](CC)(CC)OCC(=O)C1COC(C)(C)O1
InChIInChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)16-9-11(14)12-10-15-13(4,5)17-12/h12H,6-10H2,1-5H3
InChIKeyPZZAJNNGEPTUMA-UHFFFAOYSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.73
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

[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl] trifluoromethanesulfonate
CID 100943789
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide
CID 23240176
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutan-1-one
CID 130410565
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-4-oxobut-2-enoate
CID 132576255
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11044870
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbut-2-enoic acid
CID 68635756
(E)-3-(dimethylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-one
CID 59177998

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone (CID 71346096) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone is CC[Si](CC)(CC)OCC(=O)C1COC(C)(C)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone?
The InChIKey is PZZAJNNGEPTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)16-9-11(14)12-10-15-13(4,5)17-12/h12H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone has a molecular weight of 274.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-triethylsilyloxyethanone is sourced from PubChem (CID 71346096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).