1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one

C26H56O5Si3 — CID 171475509

IUPAC1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O5Si3/c1-19(27)17-20-22(30-33(13,14)25(5,6)7)23(31-34(15,16)26(8,9)10)21(18-28-20)29-32(11,12)24(2,3)4/h20-23H,17-18H2,1-16H3/t20-,21+,22-,23-/m0/s1
InChIKeyQZBSZQFRLCZEGZ-BJESRGMDSA-N
MW532.99 g/mol
LogP7.54
Rot. Bonds8

About 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one

1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one (PubChem CID 171475509) has the molecular formula C26H56O5Si3 and a molecular weight of 532.99 g/mol. Its IUPAC name is 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one
PubChem CID171475509
Molecular FormulaC26H56O5Si3
Molecular Weight532.99 g/mol
Exact Mass532.34
IUPAC Name1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O5Si3/c1-19(27)17-20-22(30-33(13,14)25(5,6)7)23(31-34(15,16)26(8,9)10)21(18-28-20)29-32(11,12)24(2,3)4/h20-23H,17-18H2,1-16H3/t20-,21+,22-,23-/m0/s1
InChIKeyQZBSZQFRLCZEGZ-BJESRGMDSA-N
XLogP7.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.99
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
methyl 2-[(3S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxo-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-6-yl]acetate
CID 24879811
methyl 2-[(2S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetate
CID 134959796
1-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-2,3-dione
CID 10864188
1-[(2S,3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]butane-2,3-dione
CID 23631140
(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one
CID 101354245
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 134922982
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737
2-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 10863468
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 16098130

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one (CID 171475509) is 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one is CC(=O)C[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one?
The InChIKey is QZBSZQFRLCZEGZ-BJESRGMDSA-N. The full InChI is InChI=1S/C26H56O5Si3/c1-19(27)17-20-22(30-33(13,14)25(5,6)7)23(31-34(15,16)26(8,9)10)21(18-28-20)29-32(11,12)24(2,3)4/h20-23H,17-18H2,1-16H3/t20-,21+,22-,23-/m0/s1.
What are the key properties of 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one?
1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one has a molecular weight of 532.99 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]propan-2-one is sourced from PubChem (CID 171475509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).