(1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol

C13H26O3Si — CID 135038851

IUPAC(1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)O2
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-10-6-9-7-11(14)12(8-10)15-9/h9-12,14H,6-8H2,1-5H3/t9-,10-,11-,12+/m0/s1
InChIKeyMOCUOZIOJDEXJV-FIQHERPVSA-N
MW258.43 g/mol
LogP2.69
Rot. Bonds2

About (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol

(1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol (PubChem CID 135038851) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name(1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol
PubChem CID135038851
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)O2
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-10-6-9-7-11(14)12(8-10)15-9/h9-12,14H,6-8H2,1-5H3/t9-,10-,11-,12+/m0/s1
InChIKeyMOCUOZIOJDEXJV-FIQHERPVSA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol with MolForge

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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]ethanol
CID 10706494
CID 173750354
CID 173750354
(2R,3S,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyloxan-3-ol
CID 10492591
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxepan-3-ol
CID 12190829
(2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxepan-3-ol
CID 12190831
(3S,4R,5R)-4-((tert-butyldimethylsilyl)oxy)-5-((R)-1-hydroxyethyl)tetrahydrofuran-3-ol
CID 91758705
(3R,4R,5R)-4-((tert-butyldimethylsilyl)oxy)-5-((S)-1-hydroxyethyl)tetrahydrofuran-3-ol
CID 91758719
[(2S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 102172703
(2R,4S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-ol
CID 134857731
(1S)-1-[(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxan-2-yl]ethane-1,2-diol
CID 134940964
(1R,2S,3R,4S,5R)-5-(((tert-butyldimethylsilyl)oxy)methyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 166177059
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
CID 10709517

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol?
The IUPAC name of (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol (CID 135038851) is (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C[C@H](O)[C@@H](C1)O2.
What is the InChIKey of (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol?
The InChIKey is MOCUOZIOJDEXJV-FIQHERPVSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-10-6-9-7-11(14)12(8-10)15-9/h9-12,14H,6-8H2,1-5H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol?
(1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol has a molecular weight of 258.43 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 135038851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).