(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one

C24H50O5Si2 — CID 10906862

IUPAC(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one
SMILESCC(C)[Si](O[C@@H]1[C@@H](O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C24H50O5Si2/c1-14(2)30(15(3)4,16(5)6)28-23-20(25)13-21(26)24(22(23)27)29-31(17(7)8,18(9)10)19(11)12/h14-20,22-25,27H,13H2,1-12H3/t20-,22-,23+,24-/m1/s1
InChIKeyKHBCBYZUOSWJPR-CAUSLRQDSA-N
MW474.83 g/mol
LogP5.80
Rot. Bonds10

About (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one

(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one (PubChem CID 10906862) has the molecular formula C24H50O5Si2 and a molecular weight of 474.83 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one
PubChem CID10906862
Molecular FormulaC24H50O5Si2
Molecular Weight474.83 g/mol
Exact Mass474.32
IUPAC Name(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one
SMILESCC(C)[Si](O[C@@H]1[C@@H](O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C24H50O5Si2/c1-14(2)30(15(3)4,16(5)6)28-23-20(25)13-21(26)24(22(23)27)29-31(17(7)8,18(9)10)19(11)12/h14-20,22-25,27H,13H2,1-12H3/t20-,22-,23+,24-/m1/s1
InChIKeyKHBCBYZUOSWJPR-CAUSLRQDSA-N
XLogP5.80
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.83
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-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

Penta-(trimethylsilyl)-D-glukose
CID 129889241
(2R,3S,4R,5R)-2,3,4,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyhexanoyl fluoride
CID 88477380
Cyclohexanone, 3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-hydroxy-, (3R, 5R)
CID 11222586
Tris(trimethylsilyl)--glucose
CID 129761159
Tris-(triathylsilyl)-D-glukose
CID 129889220
(2S,3S,4R)-2-hydroxy-3-methoxy-4-triethylsilyloxycyclohexan-1-one
CID 134866747
(2R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,5-trihydroxycyclohexan-1-one;hydrate
CID 139115328
2,3,4,5,6-Pentakis[(trimethylsilyl)oxy]cyclohexanone
CID 553793
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 15344855
(3R,4R,5R)-4,5,6-trihydroxy-1,1,3-tris(trimethylsilyl)-1,3-bis(trimethylsilyloxy)hexan-2-one
CID 22824052
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 57599550
(2S,3R,4R,5R)-4,5,6-trihydroxy-1,2,3-tris(trimethylsilyl)-2,3-bis(trimethylsilyloxy)hexan-1-one
CID 88707263

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one?
The IUPAC name of (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one (CID 10906862) is (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one.
What is the SMILES notation for (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one?
The canonical SMILES for (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one is CC(C)[Si](O[C@@H]1[C@@H](O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C[C@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one?
The InChIKey is KHBCBYZUOSWJPR-CAUSLRQDSA-N. The full InChI is InChI=1S/C24H50O5Si2/c1-14(2)30(15(3)4,16(5)6)28-23-20(25)13-21(26)24(22(23)27)29-31(17(7)8,18(9)10)19(11)12/h14-20,22-25,27H,13H2,1-12H3/t20-,22-,23+,24-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one?
(2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one has a molecular weight of 474.83 g/mol, XLogP of 5.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3,5-dihydroxy-2,4-bis[tri(propan-2-yl)silyloxy]cyclohexan-1-one is sourced from PubChem (CID 10906862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).