(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one

C11H22O3Si — CID 10933366

IUPAC(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one
SMILES[2H][C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]1[2H]
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h9H,6-8H2,1-5H3/t9-/m0/s1/i6D,7D/t6-,7+,9-
InChIKeyPUVKTUGKESTBDE-LMCSMQJISA-N
MW232.39 g/mol
LogP2.71
Rot. Bonds3

About (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one

(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one (PubChem CID 10933366) has the molecular formula C11H22O3Si and a molecular weight of 232.39 g/mol. Its IUPAC name is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one
PubChem CID10933366
Molecular FormulaC11H22O3Si
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one
SMILES[2H][C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]1[2H]
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h9H,6-8H2,1-5H3/t9-/m0/s1/i6D,7D/t6-,7+,9-
InChIKeyPUVKTUGKESTBDE-LMCSMQJISA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
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,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one?
The IUPAC name of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one (CID 10933366) is (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one?
The canonical SMILES for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one is [2H][C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]1[2H].
What is the InChIKey of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one?
The InChIKey is PUVKTUGKESTBDE-LMCSMQJISA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h9H,6-8H2,1-5H3/t9-/m0/s1/i6D,7D/t6-,7+,9-.
What are the key properties of (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one?
(3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one has a molecular weight of 232.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dideuteriooxolan-2-one is sourced from PubChem (CID 10933366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).