2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol

C24H34O3Si — CID 101389307

IUPAC2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
SMILESC[C@@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CCO)O1
InChIInChI=1S/C24H34O3Si/c1-19-15-16-23(22(26-19)17-18-25)27-28(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22-23,25H,15-18H2,1-4H3/t19-,22-,23+/m1/s1
InChIKeyICZXSDHKXJNYLF-PTUXOGIPSA-N
MW398.62 g/mol
LogP3.88
Rot. Bonds6

About 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol

2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol (PubChem CID 101389307) has the molecular formula C24H34O3Si and a molecular weight of 398.62 g/mol. Its IUPAC name is 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
PubChem CID101389307
Molecular FormulaC24H34O3Si
Molecular Weight398.62 g/mol
Exact Mass398.23
IUPAC Name2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
SMILESC[C@@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CCO)O1
InChIInChI=1S/C24H34O3Si/c1-19-15-16-23(22(26-19)17-18-25)27-28(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22-23,25H,15-18H2,1-4H3/t19-,22-,23+/m1/s1
InChIKeyICZXSDHKXJNYLF-PTUXOGIPSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol 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

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2-hydroxyethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57408004
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(3R,5Z,8R,9S)-8-[tert-butyl(diphenyl)silyl]oxy-9-ethyl-2-(hydroxymethyl)-2,3,4,7,8,9-hexahydrooxonin-3-ol
CID 134931829
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
(2S,3R,6S,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-methoxy-2-prop-2-enyloxepan-3-ol
CID 146164177
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol?
The IUPAC name of 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol (CID 101389307) is 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol is C[C@@H]1CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CCO)O1.
What is the InChIKey of 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol?
The InChIKey is ICZXSDHKXJNYLF-PTUXOGIPSA-N. The full InChI is InChI=1S/C24H34O3Si/c1-19-15-16-23(22(26-19)17-18-25)27-28(24(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22-23,25H,15-18H2,1-4H3/t19-,22-,23+/m1/s1.
What are the key properties of 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol?
2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol has a molecular weight of 398.62 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol is sourced from PubChem (CID 101389307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).