(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol

C13H28O3Si — CID 134857731

IUPAC(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol
SMILESC[C@@H]1C[C@H](O)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H28O3Si/c1-10-7-11(14)8-12(16-10)9-15-17(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11+,12-/m1/s1
InChIKeyAHGREGXVKWOLQK-GRYCIOLGSA-N
MW260.45 g/mol
LogP2.94
Rot. Bonds3

About (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol

(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol (PubChem CID 134857731) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol
PubChem CID134857731
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol
SMILESC[C@@H]1C[C@H](O)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H28O3Si/c1-10-7-11(14)8-12(16-10)9-15-17(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11+,12-/m1/s1
InChIKeyAHGREGXVKWOLQK-GRYCIOLGSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
CID 10706494
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 10890219
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
CID 11322576
3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propan-1-ol
CID 44438951
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882713
(3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70882714
(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 70883019
(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxan-3-ol
CID 144014423
(2R,3S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-3-ol
CID 15785525
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
CID 10492591
(2R,4R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-2,4-diol
CID 11658979

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol (CID 134857731) is (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol is C[C@@H]1C[C@H](O)C[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol?
The InChIKey is AHGREGXVKWOLQK-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10-7-11(14)8-12(16-10)9-15-17(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11+,12-/m1/s1.
What are the key properties of (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol?
(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol has a molecular weight of 260.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol is sourced from PubChem (CID 134857731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).