(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one

C18H44O5Si4 — CID 91750481

IUPAC(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
SMILESCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-15(19)17(22-26(8,9)10)18(23-27(11,12)13)16(21-25(5,6)7)14-20-24(2,3)4/h16-18H,14H2,1-13H3/t16-,17-,18+/m0/s1
InChIKeyHGLDRHRXNSYDTM-OKZBNKHCSA-N
MW452.89 g/mol
LogP5.09
Rot. Bonds12

About (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one

(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one (PubChem CID 91750481) has the molecular formula C18H44O5Si4 and a molecular weight of 452.89 g/mol. Its IUPAC name is (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
PubChem CID91750481
Molecular FormulaC18H44O5Si4
Molecular Weight452.89 g/mol
Exact Mass452.23
IUPAC Name(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
SMILESCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H44O5Si4/c1-15(19)17(22-26(8,9)10)18(23-27(11,12)13)16(21-25(5,6)7)14-20-24(2,3)4/h16-18H,14H2,1-13H3/t16-,17-,18+/m0/s1
InChIKeyHGLDRHRXNSYDTM-OKZBNKHCSA-N
XLogP5.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.09
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 (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The IUPAC name of (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one (CID 91750481) is (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one.
What is the SMILES notation for (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The canonical SMILES for (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one is CC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The InChIKey is HGLDRHRXNSYDTM-OKZBNKHCSA-N. The full InChI is InChI=1S/C18H44O5Si4/c1-15(19)17(22-26(8,9)10)18(23-27(11,12)13)16(21-25(5,6)7)14-20-24(2,3)4/h16-18H,14H2,1-13H3/t16-,17-,18+/m0/s1.
What are the key properties of (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one has a molecular weight of 452.89 g/mol, XLogP of 5.09, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one is sourced from PubChem (CID 91750481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).