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

C11H22O3Si — CID 69374783

IUPAC5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)[C@H](O)C1CCC(=O)O1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)10(13)8-6-7-9(12)14-8/h8,10,13H,6-7H2,1-5H3/t8?,10-/m0/s1
InChIKeyAAMQIFPCSWVZKT-HTLJXXAVSA-N
MW230.38 g/mol
LogP2.10
Rot. Bonds2

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

5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one (PubChem CID 69374783) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
PubChem CID69374783
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)[C@H](O)C1CCC(=O)O1
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)10(13)8-6-7-9(12)14-8/h8,10,13H,6-7H2,1-5H3/t8?,10-/m0/s1
InChIKeyAAMQIFPCSWVZKT-HTLJXXAVSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.10
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 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one?
The IUPAC name of 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one (CID 69374783) is 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one.
What is the SMILES notation for 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one?
The canonical SMILES for 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)[C@H](O)C1CCC(=O)O1.
What is the InChIKey of 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one?
The InChIKey is AAMQIFPCSWVZKT-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)10(13)8-6-7-9(12)14-8/h8,10,13H,6-7H2,1-5H3/t8?,10-/m0/s1.
What are the key properties of 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one?
5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one has a molecular weight of 230.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one is sourced from PubChem (CID 69374783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).