(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol

C12H26O4Si — CID 91758705

IUPAC(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol
SMILESC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-8(13)10-11(9(14)7-15-10)16-17(5,6)12(2,3)4/h8-11,13-14H,7H2,1-6H3/t8-,9+,10-,11-/m1/s1
InChIKeyVCVASIBZZPKNEH-LMLFDSFASA-N
MW262.42 g/mol
LogP1.52
Rot. Bonds3

About (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol

(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol (PubChem CID 91758705) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol
PubChem CID91758705
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol
SMILESC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O4Si/c1-8(13)10-11(9(14)7-15-10)16-17(5,6)12(2,3)4/h8-11,13-14H,7H2,1-6H3/t8-,9+,10-,11-/m1/s1
InChIKeyVCVASIBZZPKNEH-LMLFDSFASA-N
XLogP1.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol?
The IUPAC name of (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol (CID 91758705) is (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol.
What is the SMILES notation for (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol?
The canonical SMILES for (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol is C[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol?
The InChIKey is VCVASIBZZPKNEH-LMLFDSFASA-N. The full InChI is InChI=1S/C12H26O4Si/c1-8(13)10-11(9(14)7-15-10)16-17(5,6)12(2,3)4/h8-11,13-14H,7H2,1-6H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol?
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol has a molecular weight of 262.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxyethyl]oxolan-3-ol is sourced from PubChem (CID 91758705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).