2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one

C17H30O5Si — CID 11782841

IUPAC2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one
SMILESCOc1oc([C@@H](CCO)O[Si](C)(C)C(C)(C)C)c(C)c(=O)c1C
InChIInChI=1S/C17H30O5Si/c1-11-14(19)12(2)16(20-6)21-15(11)13(9-10-18)22-23(7,8)17(3,4)5/h13,18H,9-10H2,1-8H3/t13-/m1/s1
InChIKeyOQQVFBVLTHJAHM-CYBMUJFWSA-N
MW342.51 g/mol
LogP3.71
Rot. Bonds6

About 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one

2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one (PubChem CID 11782841) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one
PubChem CID11782841
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one
SMILESCOc1oc([C@@H](CCO)O[Si](C)(C)C(C)(C)C)c(C)c(=O)c1C
InChIInChI=1S/C17H30O5Si/c1-11-14(19)12(2)16(20-6)21-15(11)13(9-10-18)22-23(7,8)17(3,4)5/h13,18H,9-10H2,1-8H3/t13-/m1/s1
InChIKeyOQQVFBVLTHJAHM-CYBMUJFWSA-N
XLogP3.71
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]phenol
CID 101141021
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
CID 11631217
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
2-(3,9-dihydroxy-6-methoxy-3,7-dimethyldeca-1,7-dienyl)-6-methoxy-3,5-dimethylpyran-4-one
CID 163146653
2-[4-[(E)-1,8-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[4-(2-hydroxyethyl)phenyl]oct-4-enyl]phenyl]ethanol
CID 101142293
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
2-methoxy-3,5-dimethyl-6-[(5R)-5-methylheptyl]pyran-4-one
CID 156583093
2,2,2-trichloroethyl N-[(1S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-1-phenylheptan-3-yl]-N-methylcarbamate
CID 11375949
(E,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyloct-6-en-1-ol
CID 10873547

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one?
The IUPAC name of 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one (CID 11782841) is 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one?
The canonical SMILES for 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one is COc1oc([C@@H](CCO)O[Si](C)(C)C(C)(C)C)c(C)c(=O)c1C.
What is the InChIKey of 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one?
The InChIKey is OQQVFBVLTHJAHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-11-14(19)12(2)16(20-6)21-15(11)13(9-10-18)22-23(7,8)17(3,4)5/h13,18H,9-10H2,1-8H3/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one?
2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one has a molecular weight of 342.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-6-methoxy-3,5-dimethylpyran-4-one is sourced from PubChem (CID 11782841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).