(4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one

C19H36O5Si — CID 158116748

IUPAC(4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one
SMILESCC[C@@H](CC1O[C@@H]1C[C@H](O)[C@H]1OC(=O)C[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-8-13(24-25(6,7)19(3,4)5)10-15-16(22-15)11-14(20)18-12(2)9-17(21)23-18/h12-16,18,20H,8-11H2,1-7H3/t12-,13-,14-,15?,16+,18-/m0/s1
InChIKeyMOGZOQGZQSAHAB-QVUYHXOJSA-N
MW372.58 g/mol
LogP3.65
Rot. Bonds8

About (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one

(4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one (PubChem CID 158116748) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one
PubChem CID158116748
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one
SMILESCC[C@@H](CC1O[C@@H]1C[C@H](O)[C@H]1OC(=O)C[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-8-13(24-25(6,7)19(3,4)5)10-15-16(22-15)11-14(20)18-12(2)9-17(21)23-18/h12-16,18,20H,8-11H2,1-7H3/t12-,13-,14-,15?,16+,18-/m0/s1
InChIKeyMOGZOQGZQSAHAB-QVUYHXOJSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one?
The IUPAC name of (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one (CID 158116748) is (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one is CC[C@@H](CC1O[C@@H]1C[C@H](O)[C@H]1OC(=O)C[C@@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one?
The InChIKey is MOGZOQGZQSAHAB-QVUYHXOJSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-8-13(24-25(6,7)19(3,4)5)10-15-16(22-15)11-14(20)18-12(2)9-17(21)23-18/h12-16,18,20H,8-11H2,1-7H3/t12-,13-,14-,15?,16+,18-/m0/s1.
What are the key properties of (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one?
(4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one has a molecular weight of 372.58 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(1S)-2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-hydroxyethyl]-4-methyloxolan-2-one is sourced from PubChem (CID 158116748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).