(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one

C13H24O3Si — CID 154709334

IUPAC(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C13H24O3Si/c1-7-10(11-8-9-12(14)15-11)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m1/s1
InChIKeyIDXOWVOPAJJQQO-MNOVXSKESA-N
MW256.42 g/mol
LogP3.27
Rot. Bonds4

About (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one

(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one (PubChem CID 154709334) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
PubChem CID154709334
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1
InChIInChI=1S/C13H24O3Si/c1-7-10(11-8-9-12(14)15-11)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m1/s1
InChIKeyIDXOWVOPAJJQQO-MNOVXSKESA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[(1S,2E,4E)-1-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]oxolan-2-one
CID 162466811
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10332655
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxolan-2-one
CID 10422563
(5S)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10596921
(5R)-5-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-2-enyl]oxolan-2-one
CID 10739555
(3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
CID 11065526
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one
CID 11086842
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one
CID 11338453
(3R,5S)-3-methyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]oxolan-2-one
CID 11392822
(3R,4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-prop-2-enyloxolan-2-one
CID 15396605
[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 44550187
(5S)-5-[(E,1R)-1-hydroxy-3-triethylsilylprop-2-enyl]oxolan-2-one
CID 122219555

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one (CID 154709334) is (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
The InChIKey is IDXOWVOPAJJQQO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-10(11-8-9-12(14)15-11)16-17(5,6)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m1/s1.
What are the key properties of (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one?
(5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one has a molecular weight of 256.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxolan-2-one is sourced from PubChem (CID 154709334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).