(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one

C17H30O4Si — CID 23730190

IUPAC(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
SMILESC=C[C@H](C)[C@@H]1OC(O)(CCO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C17H30O4Si/c1-8-13(2)15-14(18)9-10-17(19,21-15)11-12-20-22(6,7)16(3,4)5/h8-10,13,15,19H,1,11-12H2,2-7H3/t13-,15-,17?/m0/s1
InChIKeyNLWNNTPMCSJRHB-JENVPCQVSA-N
MW326.51 g/mol
LogP3.43
Rot. Bonds6

About (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one

(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one (PubChem CID 23730190) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
PubChem CID23730190
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
SMILESC=C[C@H](C)[C@@H]1OC(O)(CCO[Si](C)(C)C(C)(C)C)C=CC1=O
InChIInChI=1S/C17H30O4Si/c1-8-13(2)15-14(18)9-10-17(19,21-15)11-12-20-22(6,7)16(3,4)5/h8-10,13,15,19H,1,11-12H2,2-7H3/t13-,15-,17?/m0/s1
InChIKeyNLWNNTPMCSJRHB-JENVPCQVSA-N
XLogP3.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-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

(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(2S)-6-hydroxy-6-methyl-2-[(2S,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
CID 138979490
6-Hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
CID 162417299
(2R)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-hydroxy-2-propan-2-ylpyran-3-one
CID 15599467
2-hydroxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 10020411
(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
CID 11186113
(2R,6S)-6-but-3-enyl-6-hydroxy-2-propan-2-ylpyran-3-one
CID 11974422
6-Hydroxy-6-pent-4-enyl-2-propan-2-ylpyran-3-one
CID 11975682
(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
CID 12041727
(2R,6S)-6-[(2S)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
CID 23730191
(2S)-2-[(2R)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730195
(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
CID 23730308

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one?
The IUPAC name of (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one (CID 23730190) is (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one.
What is the SMILES notation for (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one?
The canonical SMILES for (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one is C=C[C@H](C)[C@@H]1OC(O)(CCO[Si](C)(C)C(C)(C)C)C=CC1=O.
What is the InChIKey of (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one?
The InChIKey is NLWNNTPMCSJRHB-JENVPCQVSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-13(2)15-14(18)9-10-17(19,21-15)11-12-20-22(6,7)16(3,4)5/h8-10,13,15,19H,1,11-12H2,2-7H3/t13-,15-,17?/m0/s1.
What are the key properties of (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one?
(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one has a molecular weight of 326.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one is sourced from PubChem (CID 23730190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).