3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol

C17H28O4Si — CID 102266258

IUPAC3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2cccc(O)c2)O[C@@H]1CO
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(4,5)21-15-10-14(20-16(15)11-18)12-7-6-8-13(19)9-12/h6-9,14-16,18-19H,10-11H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyKPTUQVPLIDXIEU-OWCLPIDISA-N
MW324.49 g/mol
LogP3.60
Rot. Bonds4

About 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol

3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol (PubChem CID 102266258) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol
PubChem CID102266258
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2cccc(O)c2)O[C@@H]1CO
InChIInChI=1S/C17H28O4Si/c1-17(2,3)22(4,5)21-15-10-14(20-16(15)11-18)12-7-6-8-13(19)9-12/h6-9,14-16,18-19H,10-11H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyKPTUQVPLIDXIEU-OWCLPIDISA-N
XLogP3.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 66680973
CID 66680973
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
CID 10709517
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 174085318
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)phenyl]oxane-3,4-diol
CID 123984855
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol?
The IUPAC name of 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol (CID 102266258) is 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol.
What is the SMILES notation for 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol?
The canonical SMILES for 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](c2cccc(O)c2)O[C@@H]1CO.
What is the InChIKey of 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol?
The InChIKey is KPTUQVPLIDXIEU-OWCLPIDISA-N. The full InChI is InChI=1S/C17H28O4Si/c1-17(2,3)22(4,5)21-15-10-14(20-16(15)11-18)12-7-6-8-13(19)9-12/h6-9,14-16,18-19H,10-11H2,1-5H3/t14-,15+,16-/m1/s1.
What are the key properties of 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol?
3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol has a molecular weight of 324.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]phenol is sourced from PubChem (CID 102266258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).