2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol

C12H26O4Si — CID 134968201

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OCCC(O)C1O
InChIInChI=1S/C12H26O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,13-14H,6-8H2,1-5H3
InChIKeyKKFGQPZYDWCKRC-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.52
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol (PubChem CID 134968201) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
PubChem CID134968201
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol
SMILESCC(C)(C)[Si](C)(C)OCC1OCCC(O)C1O
InChIInChI=1S/C12H26O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,13-14H,6-8H2,1-5H3
InChIKeyKKFGQPZYDWCKRC-UHFFFAOYSA-N
XLogP1.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.52
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

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
tert-butyl-[(2S,3R,4R,5S,6S)-2-fluoro-3,5-dimethoxy-6-methyloxan-4-yl]oxy-dimethylsilane
CID 11695247
(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,3R)-2-[2-tri(propan-2-yl)silyloxyethyl]oxolan-3-ol
CID 10613378
(2R,3S)-2-{[(tert-butyldimethylsilyl)oxy]methyl}oxan-3-ol
CID 15785525
2-[2-Tri(propan-2-yl)silyloxyethyl]oxolan-3-ol
CID 21479745

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol (CID 134968201) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol is CC(C)(C)[Si](C)(C)OCC1OCCC(O)C1O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
The InChIKey is KKFGQPZYDWCKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-12(2,3)17(4,5)16-8-10-11(14)9(13)6-7-15-10/h9-11,13-14H,6-8H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol has a molecular weight of 262.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-3,4-diol is sourced from PubChem (CID 134968201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).