(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one

C12H24O3Si — CID 158878299

IUPAC(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
SMILESCC[C@@H]1C[C@@H](C(C)(C)O[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C12H24O3Si/c1-7-9-8-10(11(13)14-9)12(2,3)15-16(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyJCSGSYPEJJPVHJ-NXEZZACHSA-N
MW244.41 g/mol
LogP2.96
Rot. Bonds4

About (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one

(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one (PubChem CID 158878299) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
PubChem CID158878299
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
SMILESCC[C@@H]1C[C@@H](C(C)(C)O[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C12H24O3Si/c1-7-9-8-10(11(13)14-9)12(2,3)15-16(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyJCSGSYPEJJPVHJ-NXEZZACHSA-N
XLogP2.96
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 ≤ 52.96
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,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
The IUPAC name of (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one (CID 158878299) is (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one.
What is the SMILES notation for (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
The canonical SMILES for (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one is CC[C@@H]1C[C@@H](C(C)(C)O[Si](C)(C)C)C(=O)O1.
What is the InChIKey of (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
The InChIKey is JCSGSYPEJJPVHJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-9-8-10(11(13)14-9)12(2,3)15-16(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one?
(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one has a molecular weight of 244.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one is sourced from PubChem (CID 158878299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).