methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate

C16H32O5Si — CID 16757386

IUPACmethyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
SMILESCCC(C)[C@H](OC(=O)[C@H](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/t11?,12-,13-/m0/s1
InChIKeyYDWFJIQGJXJAML-SPOOISQMSA-N
MW332.51 g/mol
LogP3.53
Rot. Bonds7

About methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate

methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate (PubChem CID 16757386) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
PubChem CID16757386
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Namemethyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
SMILESCCC(C)[C@H](OC(=O)[C@H](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/t11?,12-,13-/m0/s1
InChIKeyYDWFJIQGJXJAML-SPOOISQMSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
The IUPAC name of methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate (CID 16757386) is methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate is CCC(C)[C@H](OC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
The InChIKey is YDWFJIQGJXJAML-SPOOISQMSA-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/t11?,12-,13-/m0/s1.
What are the key properties of methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
methyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-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 (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate is sourced from PubChem (CID 16757386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).