(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol

C18H38O3Si — CID 11823718

IUPAC(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1OC(O)[C@H](C)C[C@H]1C
InChIInChI=1S/C18H38O3Si/c1-10-15(21-22(8,9)18(5,6)7)14(4)16-12(2)11-13(3)17(19)20-16/h12-17,19H,10-11H2,1-9H3/t12-,13-,14-,15+,16+,17?/m1/s1
InChIKeyJQIZWHZFPOMMAW-VOYDFQSCSA-N
MW330.59 g/mol
LogP4.80
Rot. Bonds5

About (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol

(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol (PubChem CID 11823718) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol.

Molecular Properties

Compound Name(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol
PubChem CID11823718
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1OC(O)[C@H](C)C[C@H]1C
InChIInChI=1S/C18H38O3Si/c1-10-15(21-22(8,9)18(5,6)7)14(4)16-12(2)11-13(3)17(19)20-16/h12-17,19H,10-11H2,1-9H3/t12-,13-,14-,15+,16+,17?/m1/s1
InChIKeyJQIZWHZFPOMMAW-VOYDFQSCSA-N
XLogP4.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.80
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

(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
(2R)-3-[(2R,3R)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-2-hydroxy-2-methylpropanal
CID 90440610
tert-butyl-dimethyl-[(2S,3R)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-yl]oxysilane;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol
CID 159007452
tert-butyl-[(1S)-1-[(2R,3R)-5-ethoxy-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
CID 53386489
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol?
The IUPAC name of (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol (CID 11823718) is (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol.
What is the SMILES notation for (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol?
The canonical SMILES for (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H]1OC(O)[C@H](C)C[C@H]1C.
What is the InChIKey of (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol?
The InChIKey is JQIZWHZFPOMMAW-VOYDFQSCSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-10-15(21-22(8,9)18(5,6)7)14(4)16-12(2)11-13(3)17(19)20-16/h12-17,19H,10-11H2,1-9H3/t12-,13-,14-,15+,16+,17?/m1/s1.
What are the key properties of (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol?
(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol has a molecular weight of 330.59 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol is sourced from PubChem (CID 11823718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).