(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol

C12H26O4Si — CID 134854506

IUPAC(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol
SMILESC[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(O)C1O
InChIInChI=1S/C12H26O4Si/c1-8-9(13)12(5,14)10(15-8)16-17(6,7)11(2,3)4/h8-10,13-14H,1-7H3/t8-,9?,10-,12?/m0/s1
InChIKeyCVAZUNYDUYOPLI-ZSWLNHAKSA-N
MW262.42 g/mol
LogP1.86
Rot. Bonds2

About (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol

(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol (PubChem CID 134854506) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol
PubChem CID134854506
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol
SMILESC[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(O)C1O
InChIInChI=1S/C12H26O4Si/c1-8-9(13)12(5,14)10(15-8)16-17(6,7)11(2,3)4/h8-10,13-14H,1-7H3/t8-,9?,10-,12?/m0/s1
InChIKeyCVAZUNYDUYOPLI-ZSWLNHAKSA-N
XLogP1.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.86
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,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
CID 131133904
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
(2S,3R,4R,5S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4,5-trimethyloxane-3,4-diol
CID 10894453
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
(4S,6S,7S,8R,9R)-7,8,9-tris[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-3,6-dimethyl-5-oxaspiro[3.5]nonan-2-one
CID 134866555
(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
CID 11057127
(1R,2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3,3-dimethylbut-1-enyl]-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol
CID 101155310
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1S,3S,4R,5S,7S,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dioxatricyclo[3.3.1.13,7]decane-1,3-diol
CID 139060551

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol?
The IUPAC name of (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol (CID 134854506) is (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol.
What is the SMILES notation for (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol?
The canonical SMILES for (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol is C[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(O)C1O.
What is the InChIKey of (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol?
The InChIKey is CVAZUNYDUYOPLI-ZSWLNHAKSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-8-9(13)12(5,14)10(15-8)16-17(6,7)11(2,3)4/h8-10,13-14H,1-7H3/t8-,9?,10-,12?/m0/s1.
What are the key properties of (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol?
(2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol has a molecular weight of 262.42 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxolane-3,4-diol is sourced from PubChem (CID 134854506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).