(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C13H26O4Si — CID 11254343

IUPAC(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESC[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C13H26O4Si/c1-8-10(14)11(9-7-15-12(8)16-9)17-18(5,6)13(2,3)4/h8-12,14H,7H2,1-6H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyIBXKDHMXGCTSFK-LZQZFOIKSA-N
MW274.43 g/mol
LogP2.13
Rot. Bonds2

About (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 11254343) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID11254343
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESC[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C13H26O4Si/c1-8-10(14)11(9-7-15-12(8)16-9)17-18(5,6)13(2,3)4/h8-12,14H,7H2,1-6H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyIBXKDHMXGCTSFK-LZQZFOIKSA-N
XLogP2.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4R,5R)-4-azido-2-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 156777454
(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10969136
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
(6S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 157295900
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
(3S,4S,10R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methyloxecan-2-ol
CID 11384956
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
CID 59042905
(4aR,6R,7R,8R,8aS)-6-azido-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 100931385
[(6R,8S,8aS)-6,8-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 157142781

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 11254343) is (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is C[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is IBXKDHMXGCTSFK-LZQZFOIKSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-8-10(14)11(9-7-15-12(8)16-9)17-18(5,6)13(2,3)4/h8-12,14H,7H2,1-6H3/t8-,9-,10-,11-,12-/m1/s1.
What are the key properties of (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 274.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 11254343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).