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

C13H26O4Si — CID 11033068

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC1(C)OC[C@@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)16-8-10(14)11-9-15-13(4,5)17-11/h11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeySJDVGKCUYQJNKT-NSHDSACASA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds4

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

2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 11033068) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID11033068
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC1(C)OC[C@@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)16-8-10(14)11-9-15-13(4,5)17-11/h11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeySJDVGKCUYQJNKT-NSHDSACASA-N
XLogP2.73
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 ≤ 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

(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
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11778119
2-(Trimethylsilyl)ethyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154731555
methyl (4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10335211
(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxyoxolan-3-one
CID 10706487
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 14991887
[tert-butyl(dimethyl)silyl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 21627334
Methyl 3,4-O-isopropylidene-L-threonate, TBDMS derivative
CID 91701870
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-one
CID 14134380
(2R,4S) 4 t-butyldimethylsiloxymethyl-2-methyl-1,3-dioxan-5-one
CID 14134382

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 11033068) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC1(C)OC[C@@H](C(=O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is SJDVGKCUYQJNKT-NSHDSACASA-N. The full InChI is InChI=1S/C13H26O4Si/c1-12(2,3)18(6,7)16-8-10(14)11-9-15-13(4,5)17-11/h11H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 274.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 11033068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).