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

C13H24O3Si — CID 122219555

IUPAC(5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one
SMILESCC[Si](/C=C/[C@@H](O)[C@@H]1CCC(=O)O1)(CC)CC
InChIInChI=1S/C13H24O3Si/c1-4-17(5-2,6-3)10-9-11(14)12-7-8-13(15)16-12/h9-12,14H,4-8H2,1-3H3/b10-9+/t11-,12+/m1/s1
InChIKeyDMVDVQBIFGKTMA-ZGFRAZBVSA-N
MW256.42 g/mol
LogP2.66
Rot. Bonds6

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

(5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one (PubChem CID 122219555) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one
PubChem CID122219555
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one
SMILESCC[Si](/C=C/[C@@H](O)[C@@H]1CCC(=O)O1)(CC)CC
InChIInChI=1S/C13H24O3Si/c1-4-17(5-2,6-3)10-9-11(14)12-7-8-13(15)16-12/h9-12,14H,4-8H2,1-3H3/b10-9+/t11-,12+/m1/s1
InChIKeyDMVDVQBIFGKTMA-ZGFRAZBVSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one with MolForge

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Related Compounds

Musacin E
CID 10487106
5-(1-Hydroxybut-2-en-1-yl)oxolan-2-one
CID 71353244
(5R)-5-[(E,1S)-1-hydroxybut-2-enyl]oxolan-2-one
CID 11321082
Nigrosporalactone
CID 11389516
(5S)-5-[(1R,2R)-1-hydroxy-2-trimethylsilylbut-3-enyl]oxolan-2-one
CID 10955333
methyl (E,5R)-5-hydroxy-7-trimethylsilylhept-6-enoate
CID 134904305
(5S)-5-[(1R)-1-hydroxyprop-2-enyl]oxolan-2-one
CID 154708343
[(E,2R,3S,6R)-3,6-dihydroxy-6-[(2S)-5-oxooxolan-2-yl]hex-4-en-2-yl] butanoate
CID 154709332
(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
CID 154709334
(5S)-5-[(E,1R,4S,5R)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxyhex-2-enyl]oxolan-2-one
CID 154709337
5-[(E)-1-hydroxybut-2-enyl]oxolan-2-one
CID 12528341
5-(1-Hydroxyprop-2-enyl)oxolan-2-one
CID 67853652

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one (CID 122219555) is (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one is CC[Si](/C=C/[C@@H](O)[C@@H]1CCC(=O)O1)(CC)CC.
What is the InChIKey of (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one?
The InChIKey is DMVDVQBIFGKTMA-ZGFRAZBVSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-4-17(5-2,6-3)10-9-11(14)12-7-8-13(15)16-12/h9-12,14H,4-8H2,1-3H3/b10-9+/t11-,12+/m1/s1.
What are the key properties of (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one?
(5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one has a molecular weight of 256.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one is sourced from PubChem (CID 122219555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).