(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol

C10H22O3Si — CID 91812189

IUPAC(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC[C@H]1O
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-9-7-12-6-8(9)11/h8-9,11H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyYSNOZTORLKKZMT-BDAKNGLRSA-N
MW218.37 g/mol
LogP1.77
Rot. Bonds2

About (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol (PubChem CID 91812189) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol
PubChem CID91812189
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1COC[C@H]1O
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-9-7-12-6-8(9)11/h8-9,11H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKeyYSNOZTORLKKZMT-BDAKNGLRSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
The IUPAC name of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol (CID 91812189) is (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol is CC(C)(C)[Si](C)(C)O[C@H]1COC[C@H]1O.
What is the InChIKey of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
The InChIKey is YSNOZTORLKKZMT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-9-7-12-6-8(9)11/h8-9,11H,6-7H2,1-5H3/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol?
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol has a molecular weight of 218.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-ol is sourced from PubChem (CID 91812189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).