methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate

C16H32O5Si — CID 73324174

IUPACmethyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
SMILESCCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-10-11(2)13(15(18)19-7)20-14(17)12(3)21-22(8,9)16(4,5)6/h11-13H,10H2,1-9H3
InChIKeyYDWFJIQGJXJAML-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.53
Rot. Bonds7

About methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate

methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate (PubChem CID 73324174) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
PubChem CID73324174
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
SMILESCCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O5Si/c1-10-11(2)13(15(18)19-7)20-14(17)12(3)21-22(8,9)16(4,5)6/h11-13H,10H2,1-9H3
InChIKeyYDWFJIQGJXJAML-UHFFFAOYSA-N
XLogP3.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.53
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

(s)-Methyl 2-(t-butyldimethylsilanyloxy)-4-methyl-pentanoate
CID 16756101
dimethyl (5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-trimethylsilyloxyhept-2-ynedioate
CID 134946359
Pentanoic acid, 2-hydroxy-3-methyl, TBDMS
CID 91753829
methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
CID 16757386
(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoic acid
CID 16757387
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
CID 73323587
2-[2-[Tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoic acid
CID 73324175
[(2S)-3-methyl-1-oxopentan-2-yl] (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 88249653
tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
CID 16755896
3-Methylbutyl 2-[(tripropylsilyl)oxy]propanoate
CID 71387959
(2R,3S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]oxy-3-methylpentanoic acid
CID 101857232
(2R,3S)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]oxy-3-methylpentanoic acid
CID 101857233

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
The IUPAC name of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate (CID 73324174) is methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
The canonical SMILES for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate is CCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
The InChIKey is YDWFJIQGJXJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-10-11(2)13(15(18)19-7)20-14(17)12(3)21-22(8,9)16(4,5)6/h11-13H,10H2,1-9H3.
What are the key properties of methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate has a molecular weight of 332.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate is sourced from PubChem (CID 73324174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).