(3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one

C10H20O3Si — CID 10965951

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCOC1=O
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-12-9(8)11/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyWNRXZIBXHZJOBE-QMMMGPOBSA-N
MW216.35 g/mol
LogP2.32
Rot. Bonds2

About (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one

(3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one (PubChem CID 10965951) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one
PubChem CID10965951
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCOC1=O
InChIInChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-12-9(8)11/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyWNRXZIBXHZJOBE-QMMMGPOBSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.32
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 (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one (CID 10965951) is (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one?
The InChIKey is WNRXZIBXHZJOBE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-10(2,3)14(4,5)13-8-6-7-12-9(8)11/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one?
(3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one has a molecular weight of 216.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one is sourced from PubChem (CID 10965951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).