(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol

C10H24O3Si — CID 10466063

IUPAC(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
SMILESC[C@@H](O)[C@H](O)[C@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O3Si/c1-7(11)8(12)9(13)14(5,6)10(2,3)4/h7-9,11-13H,1-6H3/t7-,8+,9-/m1/s1
InChIKeyOGLRFUQETVAUPE-HRDYMLBCSA-N
MW220.38 g/mol
LogP1.14
Rot. Bonds3

About (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol

(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol (PubChem CID 10466063) has the molecular formula C10H24O3Si and a molecular weight of 220.38 g/mol. Its IUPAC name is (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
PubChem CID10466063
Molecular FormulaC10H24O3Si
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
SMILESC[C@@H](O)[C@H](O)[C@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O3Si/c1-7(11)8(12)9(13)14(5,6)10(2,3)4/h7-9,11-13H,1-6H3/t7-,8+,9-/m1/s1
InChIKeyOGLRFUQETVAUPE-HRDYMLBCSA-N
XLogP1.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol?
The IUPAC name of (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol (CID 10466063) is (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol.
What is the SMILES notation for (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol?
The canonical SMILES for (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol is C[C@@H](O)[C@H](O)[C@H](O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol?
The InChIKey is OGLRFUQETVAUPE-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H24O3Si/c1-7(11)8(12)9(13)14(5,6)10(2,3)4/h7-9,11-13H,1-6H3/t7-,8+,9-/m1/s1.
What are the key properties of (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol?
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol has a molecular weight of 220.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol is sourced from PubChem (CID 10466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).