(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol

C27H32O3Si — CID 102433801

IUPAC(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
SMILESC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)O[C@H]1c1ccccc1
InChIInChI=1S/C27H32O3Si/c1-20-24(21-14-8-5-9-15-21)29-26(28)25(20)30-31(27(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-26,28H,1-4H3/t20-,24-,25+,26?/m1/s1
InChIKeyVDCATAIRYYCAPC-SLPRKMDESA-N
MW432.64 g/mol
LogP4.66
Rot. Bonds5

About (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol

(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol (PubChem CID 102433801) has the molecular formula C27H32O3Si and a molecular weight of 432.64 g/mol. Its IUPAC name is (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol.

Molecular Properties

Compound Name(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
PubChem CID102433801
Molecular FormulaC27H32O3Si
Molecular Weight432.64 g/mol
Exact Mass432.21
IUPAC Name(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
SMILESC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)O[C@H]1c1ccccc1
InChIInChI=1S/C27H32O3Si/c1-20-24(21-14-8-5-9-15-21)29-26(28)25(20)30-31(27(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-26,28H,1-4H3/t20-,24-,25+,26?/m1/s1
InChIKeyVDCATAIRYYCAPC-SLPRKMDESA-N
XLogP4.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol 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

(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
[(2S,5R,6R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 171124282
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(2S,3S,4aS,5S,6S,7S,8aS)-5-[tert-butyl(diphenyl)silyl]oxy-2,3-diphenyl-7-phenylselanyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-ol
CID 102217004
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol?
The IUPAC name of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol (CID 102433801) is (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol.
What is the SMILES notation for (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol?
The canonical SMILES for (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol is C[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)O[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol?
The InChIKey is VDCATAIRYYCAPC-SLPRKMDESA-N. The full InChI is InChI=1S/C27H32O3Si/c1-20-24(21-14-8-5-9-15-21)29-26(28)25(20)30-31(27(2,3)4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20,24-26,28H,1-4H3/t20-,24-,25+,26?/m1/s1.
What are the key properties of (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol?
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol has a molecular weight of 432.64 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol is sourced from PubChem (CID 102433801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).