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

C19H38O5Si — CID 16755896

IUPACtert-butyl (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(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-12-13(2)15(17(21)23-18(4,5)6)22-16(20)14(3)24-25(10,11)19(7,8)9/h13-15H,12H2,1-11H3/t13?,14-,15-/m0/s1
InChIKeyTXFCTNAJRVIEOP-FGRDXJNISA-N
MW374.59 g/mol
LogP4.70
Rot. Bonds7

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

tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate (PubChem CID 16755896) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
PubChem CID16755896
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Nametert-butyl (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(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-12-13(2)15(17(21)23-18(4,5)6)22-16(20)14(3)24-25(10,11)19(7,8)9/h13-15H,12H2,1-11H3/t13?,14-,15-/m0/s1
InChIKeyTXFCTNAJRVIEOP-FGRDXJNISA-N
XLogP4.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.70
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

tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
CID 135002604
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
Methyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
CID 73324174
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 (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 16220561
(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
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 102218411

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
The IUPAC name of tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate (CID 16755896) is tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
The canonical SMILES for tert-butyl (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(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
The InChIKey is TXFCTNAJRVIEOP-FGRDXJNISA-N. The full InChI is InChI=1S/C19H38O5Si/c1-12-13(2)15(17(21)23-18(4,5)6)22-16(20)14(3)24-25(10,11)19(7,8)9/h13-15H,12H2,1-11H3/t13?,14-,15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate?
tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate has a molecular weight of 374.59 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate is sourced from PubChem (CID 16755896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).