methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate

C17H34O6Si — CID 178027599

IUPACmethyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COCC(CO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H34O6Si/c1-13(18)23-14(11-22-24(8,9)16(2,3)4)10-21-12-17(5,6)15(19)20-7/h14H,10-12H2,1-9H3
InChIKeyXXALKWLXLHTNCX-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.16
Rot. Bonds9

About methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate

methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate (PubChem CID 178027599) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate
PubChem CID178027599
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Namemethyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COCC(CO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H34O6Si/c1-13(18)23-14(11-22-24(8,9)16(2,3)4)10-21-12-17(5,6)15(19)20-7/h14H,10-12H2,1-9H3
InChIKeyXXALKWLXLHTNCX-UHFFFAOYSA-N
XLogP3.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785
[(2S,3R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3-trimethoxy-5-oxopentyl] acetate
CID 10547692
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
CID 91709764
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
CID 121003661
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
[(1R)-1-[(2S,3aR,5R,6aR)-5-[(1R)-1-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] acetate
CID 102182234
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate (CID 178027599) is methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COCC(CO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate?
The InChIKey is XXALKWLXLHTNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-13(18)23-14(11-22-24(8,9)16(2,3)4)10-21-12-17(5,6)15(19)20-7/h14H,10-12H2,1-9H3.
What are the key properties of methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate?
methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate has a molecular weight of 362.54 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 178027599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).