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

C12H24O3Si — CID 99772896

IUPAC(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)O1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-9-8-10-6-7-11(13)15-10/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyCRKXBRYDYGZXKJ-JTQLQIEISA-N
MW244.41 g/mol
LogP3.10
Rot. Bonds4

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

(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one (PubChem CID 99772896) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
PubChem CID99772896
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)O1
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-9-8-10-6-7-11(13)15-10/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyCRKXBRYDYGZXKJ-JTQLQIEISA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.10
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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one (CID 99772896) is (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
The InChIKey is CRKXBRYDYGZXKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-9-8-10-6-7-11(13)15-10/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one?
(5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one has a molecular weight of 244.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one is sourced from PubChem (CID 99772896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).