(2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one

C25H32O3Si — CID 11144006

IUPAC(2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one
SMILESC[C@H]1C=CC(=O)O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-19-16-17-23(26)28-24(19)20(2)18-27-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19-20,24H,18H2,1-5H3/t19-,20-,24-/m0/s1
InChIKeyZVZYVOCOOKUHTC-SKPFHBQLSA-N
MW408.61 g/mol
LogP4.32
Rot. Bonds6

About (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one

(2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one (PubChem CID 11144006) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one
PubChem CID11144006
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Name(2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one
SMILESC[C@H]1C=CC(=O)O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-19-16-17-23(26)28-24(19)20(2)18-27-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19-20,24H,18H2,1-5H3/t19-,20-,24-/m0/s1
InChIKeyZVZYVOCOOKUHTC-SKPFHBQLSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one (CID 11144006) is (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one is C[C@H]1C=CC(=O)O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one?
The InChIKey is ZVZYVOCOOKUHTC-SKPFHBQLSA-N. The full InChI is InChI=1S/C25H32O3Si/c1-19-16-17-23(26)28-24(19)20(2)18-27-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19-20,24H,18H2,1-5H3/t19-,20-,24-/m0/s1.
What are the key properties of (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one?
(2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one has a molecular weight of 408.61 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 11144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).