(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one

C11H22O3Si — CID 10014094

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)O1
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
InChIKeyPUVKTUGKESTBDE-VIFPVBQESA-N
MW230.38 g/mol
LogP2.71
Rot. Bonds3

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one (PubChem CID 10014094) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
PubChem CID10014094
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)O1
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
InChIKeyPUVKTUGKESTBDE-VIFPVBQESA-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 ≤ 500230.38
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 (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one (CID 10014094) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
The InChIKey is PUVKTUGKESTBDE-VIFPVBQESA-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.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one has a molecular weight of 230.38 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 (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one is sourced from PubChem (CID 10014094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).