[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol

C15H32O4Si — CID 44518856

IUPAC[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
SMILESC[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CO)O[C@@H]1CO
InChIInChI=1S/C15H32O4Si/c1-10-12(8-16)18-13(9-17)11(2)14(10)19-20(6,7)15(3,4)5/h10-14,16-17H,8-9H2,1-7H3/t10-,11+,12+,13-,14?
InChIKeyVQKSQRJZWZSWKZ-PLADLKKGSA-N
MW304.50 g/mol
LogP2.40
Rot. Bonds4

About [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol

[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol (PubChem CID 44518856) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
PubChem CID44518856
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
SMILESC[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CO)O[C@@H]1CO
InChIInChI=1S/C15H32O4Si/c1-10-12(8-16)18-13(9-17)11(2)14(10)19-20(6,7)15(3,4)5/h10-14,16-17H,8-9H2,1-7H3/t10-,11+,12+,13-,14?
InChIKeyVQKSQRJZWZSWKZ-PLADLKKGSA-N
XLogP2.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.40
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

[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
CID 88871664
CID 88871664
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[(5S,7S,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methanol
CID 11595116
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
N-[(2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 23636276
N-[(2S,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)oxolan-3-yl]acetamide
CID 71166971
CID 66680973
CID 66680973
[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(4-nitrophenoxy)oxolan-2-yl]methanol
CID 163718738

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
The IUPAC name of [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol (CID 44518856) is [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol is C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CO)O[C@@H]1CO.
What is the InChIKey of [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
The InChIKey is VQKSQRJZWZSWKZ-PLADLKKGSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-10-12(8-16)18-13(9-17)11(2)14(10)19-20(6,7)15(3,4)5/h10-14,16-17H,8-9H2,1-7H3/t10-,11+,12+,13-,14?.
What are the key properties of [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol has a molecular weight of 304.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol is sourced from PubChem (CID 44518856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).