(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one

C11H20O3Si — CID 10955333

IUPAC(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one
SMILESC=C[C@H]([C@H](O)[C@@H]1CCC(=O)O1)[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-5-9(15(2,3)4)11(13)8-6-7-10(12)14-8/h5,8-9,11,13H,1,6-7H2,2-4H3/t8-,9+,11+/m0/s1
InChIKeyVYRLWCGTIDZUQE-IQJOONFLSA-N
MW228.36 g/mol
LogP1.95
Rot. Bonds4

About (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one

(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one (PubChem CID 10955333) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one
PubChem CID10955333
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one
SMILESC=C[C@H]([C@H](O)[C@@H]1CCC(=O)O1)[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-5-9(15(2,3)4)11(13)8-6-7-10(12)14-8/h5,8-9,11,13H,1,6-7H2,2-4H3/t8-,9+,11+/m0/s1
InChIKeyVYRLWCGTIDZUQE-IQJOONFLSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one (CID 10955333) is (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one is C=C[C@H]([C@H](O)[C@@H]1CCC(=O)O1)[Si](C)(C)C.
What is the InChIKey of (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one?
The InChIKey is VYRLWCGTIDZUQE-IQJOONFLSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-5-9(15(2,3)4)11(13)8-6-7-10(12)14-8/h5,8-9,11,13H,1,6-7H2,2-4H3/t8-,9+,11+/m0/s1.
What are the key properties of (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one?
(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one has a molecular weight of 228.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one is sourced from PubChem (CID 10955333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).