(3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one

C17H42O5Si4 — CID 22212084

IUPAC(3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
SMILESC[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(18)17(22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h16-17H,13-14H2,1-12H3/t16-,17-/m1/s1
InChIKeyXICOLDUAIFLSIU-IAGOWNOFSA-N
MW438.86 g/mol
LogP4.70
Rot. Bonds12

About (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one

(3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one (PubChem CID 22212084) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one.

Molecular Properties

Compound Name(3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
PubChem CID22212084
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Name(3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
SMILESC[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(18)17(22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h16-17H,13-14H2,1-12H3/t16-,17-/m1/s1
InChIKeyXICOLDUAIFLSIU-IAGOWNOFSA-N
XLogP4.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
The IUPAC name of (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one (CID 22212084) is (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one.
What is the SMILES notation for (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
The canonical SMILES for (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one is C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
The InChIKey is XICOLDUAIFLSIU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-13-15(18)17(22-26(10,11)12)16(21-25(7,8)9)14-20-24(4,5)6/h16-17H,13-14H2,1-12H3/t16-,17-/m1/s1.
What are the key properties of (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one?
(3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one has a molecular weight of 438.86 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one is sourced from PubChem (CID 22212084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).