(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one

C14H26O3Si — CID 177419815

IUPAC(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)C=CO1
InChIInChI=1S/C14H26O3Si/c1-11(13-9-12(15)7-8-16-13)10-17-18(5,6)14(2,3)4/h7-8,11,13H,9-10H2,1-6H3/t11-,13-/m0/s1
InChIKeyQVLSXALKICBEGR-AAEUAGOBSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds4

About (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one

(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one (PubChem CID 177419815) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one
PubChem CID177419815
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)C=CO1
InChIInChI=1S/C14H26O3Si/c1-11(13-9-12(15)7-8-16-13)10-17-18(5,6)14(2,3)4/h7-8,11,13H,9-10H2,1-6H3/t11-,13-/m0/s1
InChIKeyQVLSXALKICBEGR-AAEUAGOBSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-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

(E,5R)-7-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-5-trimethylsilyloxyhept-1-en-3-one
CID 10316504
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 11777196
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 44598006
2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 73097138
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 101184079
2-(1-Methoxypropan-2-yl)-2,3-dihydropyran-4-one
CID 116503195
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 122213516
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 122213517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one (CID 177419815) is (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)C=CO1.
What is the InChIKey of (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one?
The InChIKey is QVLSXALKICBEGR-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-11(13-9-12(15)7-8-16-13)10-17-18(5,6)14(2,3)4/h7-8,11,13H,9-10H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one?
(2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one has a molecular weight of 270.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 177419815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).