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

C13H26O4Si — CID 10516489

IUPAC[(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-10(14)16-12-8-7-11(17-12)9-15-18(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12?/m0/s1
InChIKeyYXBPDVPYLRVOJK-PXYINDEMSA-N
MW274.43 g/mol
LogP3.08
Rot. Bonds4

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

[(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate (PubChem CID 10516489) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate
PubChem CID10516489
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H26O4Si/c1-10(14)16-12-8-7-11(17-12)9-15-18(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12?/m0/s1
InChIKeyYXBPDVPYLRVOJK-PXYINDEMSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-yl] acetate?
The IUPAC name of [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate (CID 10516489) is [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate.
What is the SMILES notation for [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The canonical SMILES for [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate is CC(=O)OC1CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate?
The InChIKey is YXBPDVPYLRVOJK-PXYINDEMSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-10(14)16-12-8-7-11(17-12)9-15-18(5,6)13(2,3)4/h11-12H,7-9H2,1-6H3/t11-,12?/m0/s1.
What are the key properties of [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate?
[(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate has a molecular weight of 274.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl] acetate is sourced from PubChem (CID 10516489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).