tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate

C20H42O4Si — CID 135012525

IUPACtert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
SMILESCC(C)[Si](O[C@H]([C@@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O4Si/c1-13(2)25(14(3)4,15(5)6)24-18(16(7)12-21)17(8)19(22)23-20(9,10)11/h13-18,21H,12H2,1-11H3/t16-,17+,18+/m0/s1
InChIKeyKPHYXCYWWGJKJE-RCCFBDPRSA-N
MW374.64 g/mol
LogP5.15
Rot. Bonds9

About tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate

tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate (PubChem CID 135012525) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
PubChem CID135012525
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Nametert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
SMILESCC(C)[Si](O[C@H]([C@@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H42O4Si/c1-13(2)25(14(3)4,15(5)6)24-18(16(7)12-21)17(8)19(22)23-20(9,10)11/h13-18,21H,12H2,1-11H3/t16-,17+,18+/m0/s1
InChIKeyKPHYXCYWWGJKJE-RCCFBDPRSA-N
XLogP5.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate?
The IUPAC name of tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate (CID 135012525) is tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate.
What is the SMILES notation for tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate?
The canonical SMILES for tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate is CC(C)[Si](O[C@H]([C@@H](C)CO)[C@@H](C)C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate?
The InChIKey is KPHYXCYWWGJKJE-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H42O4Si/c1-13(2)25(14(3)4,15(5)6)24-18(16(7)12-21)17(8)19(22)23-20(9,10)11/h13-18,21H,12H2,1-11H3/t16-,17+,18+/m0/s1.
What are the key properties of tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate?
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate has a molecular weight of 374.64 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate is sourced from PubChem (CID 135012525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).