(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol

C28H42O4Si — CID 11583642

IUPAC(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol
SMILESCCC[C@H](COC1CCCCO1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O4Si/c1-5-14-23(21-31-27-19-12-13-20-30-27)26(29)22-32-33(28(2,3)4,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,23,26-27,29H,5,12-14,19-22H2,1-4H3/t23-,26+,27?/m1/s1
InChIKeyWLYXDCSXIRWHRP-KSFIVCTKSA-N
MW470.73 g/mol
LogP4.88
Rot. Bonds11

About (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol

(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol (PubChem CID 11583642) has the molecular formula C28H42O4Si and a molecular weight of 470.73 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol
PubChem CID11583642
Molecular FormulaC28H42O4Si
Molecular Weight470.73 g/mol
Exact Mass470.29
IUPAC Name(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol
SMILESCCC[C@H](COC1CCCCO1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H42O4Si/c1-5-14-23(21-31-27-19-12-13-20-30-27)26(29)22-32-33(28(2,3)4,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,23,26-27,29H,5,12-14,19-22H2,1-4H3/t23-,26+,27?/m1/s1
InChIKeyWLYXDCSXIRWHRP-KSFIVCTKSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6R,6aR)-6-(((tert-Butyldiphenylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10550491
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 357855
(3aS,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11954920
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(2R,3S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
CID 57867357
(2R,3R,4R)-2-((tert-butyldiphenylsilyloxy)methyl)-4-fluoro-5-methoxy-4-methyl-tetrahydrofuran-3-ol
CID 57867368

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol?
The IUPAC name of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol (CID 11583642) is (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol?
The canonical SMILES for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol is CCC[C@H](COC1CCCCO1)[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol?
The InChIKey is WLYXDCSXIRWHRP-KSFIVCTKSA-N. The full InChI is InChI=1S/C28H42O4Si/c1-5-14-23(21-31-27-19-12-13-20-30-27)26(29)22-32-33(28(2,3)4,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,23,26-27,29H,5,12-14,19-22H2,1-4H3/t23-,26+,27?/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol?
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol has a molecular weight of 470.73 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol is sourced from PubChem (CID 11583642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).