(1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

C13H26O6Si — CID 166177059

IUPAC(1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C13H26O6Si/c1-12(2,3)20(4,5)18-7-13-11(16)10(15)9(14)8(19-13)6-17-13/h8-11,14-16H,6-7H2,1-5H3/t8-,9-,10-,11+,13-/m1/s1
InChIKeyZXTWCNQMWTZJQQ-ZZBQETCWSA-N
MW306.43 g/mol
LogP0.22
Rot. Bonds3

About (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

(1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (PubChem CID 166177059) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol.

Molecular Properties

Compound Name(1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID166177059
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name(1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]2O
InChIInChI=1S/C13H26O6Si/c1-12(2,3)20(4,5)18-7-13-11(16)10(15)9(14)8(19-13)6-17-13/h8-11,14-16H,6-7H2,1-5H3/t8-,9-,10-,11+,13-/m1/s1
InChIKeyZXTWCNQMWTZJQQ-ZZBQETCWSA-N
XLogP0.22
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
The IUPAC name of (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (CID 166177059) is (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol.
What is the SMILES notation for (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
The canonical SMILES for (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol is CC(C)(C)[Si](C)(C)OC[C@@]12OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]2O.
What is the InChIKey of (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
The InChIKey is ZXTWCNQMWTZJQQ-ZZBQETCWSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-12(2,3)20(4,5)18-7-13-11(16)10(15)9(14)8(19-13)6-17-13/h8-11,14-16H,6-7H2,1-5H3/t8-,9-,10-,11+,13-/m1/s1.
What are the key properties of (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
(1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol has a molecular weight of 306.43 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol is sourced from PubChem (CID 166177059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).