(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol

C14H30O2Si — CID 100969416

IUPAC(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol
SMILESC[C@@H]1C(O)CO[Si](C(C)(C)C)(C(C)(C)C)[C@@H]1C
InChIInChI=1S/C14H30O2Si/c1-10-11(2)17(13(3,4)5,14(6,7)8)16-9-12(10)15/h10-12,15H,9H2,1-8H3/t10-,11+,12?/m0/s1
InChIKeyUBGGLAZVNBQANP-WIKAKEFZSA-N
MW258.48 g/mol
LogP3.95
Rot. Bonds

About (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol

(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol (PubChem CID 100969416) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol.

Molecular Properties

Compound Name(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol
PubChem CID100969416
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol
SMILESC[C@@H]1C(O)CO[Si](C(C)(C)C)(C(C)(C)C)[C@@H]1C
InChIInChI=1S/C14H30O2Si/c1-10-11(2)17(13(3,4)5,14(6,7)8)16-9-12(10)15/h10-12,15H,9H2,1-8H3/t10-,11+,12?/m0/s1
InChIKeyUBGGLAZVNBQANP-WIKAKEFZSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
[(3S,4S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl] acetate
CID 134856615
1-[(3R,4R,5S)-2,2-ditert-butyl-3,4-dimethyloxasilolan-5-yl]propan-2-one
CID 102372351
(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
CID 10441964
(3R,4R,5R)-5-[(E)-1-iodoprop-1-enyl]-4-methyloxolan-3-ol
CID 11821590
3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane
CID 59459638
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
(3R,5R)-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 90963078
4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
4-[2-(2,4-dihydroxy-3-methylcyclohexyl)propan-2-yl]-2-methylcyclohexane-1,3-diol
CID 159828028
(4S,5R)-2-tert-butyloxane-3,4,5-triol
CID 118459215

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol?
The IUPAC name of (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol (CID 100969416) is (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol.
What is the SMILES notation for (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol?
The canonical SMILES for (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol is C[C@@H]1C(O)CO[Si](C(C)(C)C)(C(C)(C)C)[C@@H]1C.
What is the InChIKey of (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol?
The InChIKey is UBGGLAZVNBQANP-WIKAKEFZSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-10-11(2)17(13(3,4)5,14(6,7)8)16-9-12(10)15/h10-12,15H,9H2,1-8H3/t10-,11+,12?/m0/s1.
What are the key properties of (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol?
(3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol has a molecular weight of 258.48 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2-ditert-butyl-3,4-dimethyloxasilinan-5-ol is sourced from PubChem (CID 100969416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).