(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one

C13H24O4Si — CID 11780673

IUPAC(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H]1CC=CC(=O)O1
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)16-9-10(14)11-7-6-8-12(15)17-11/h6,8,10-11,14H,7,9H2,1-5H3/t10-,11-/m1/s1
InChIKeyIHCFVOXZAIASBQ-GHMZBOCLSA-N
MW272.42 g/mol
LogP2.24
Rot. Bonds4

About (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one

(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one (PubChem CID 11780673) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
PubChem CID11780673
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H]1CC=CC(=O)O1
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)16-9-10(14)11-7-6-8-12(15)17-11/h6,8,10-11,14H,7,9H2,1-5H3/t10-,11-/m1/s1
InChIKeyIHCFVOXZAIASBQ-GHMZBOCLSA-N
XLogP2.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1S,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyheptyl]-2,3-dihydropyran-6-one
CID 11152561
2-(1,2-dihydroxyhexyl)-2,3-dihydropyran-6-one
CID 100918704
(2S)-2-[(1S,2R)-1,2-dihydroxyhexyl]-2,3-dihydropyran-6-one
CID 101248046
(2S)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2H-furan-5-one
CID 10670227
(3R)-3-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
CID 57409059
(4R,5R)-4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-prop-2-enyl-1,3-dioxolan-2-one
CID 10780718
(2R)-2-[(2S,5S)-5-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
CID 11799939
(1S,2R,5R)-2-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 10638952
(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 102156337
2-[(1R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 118584259
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[5,6,7-trihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)heptan-3-yl] acetate
CID 162903220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one (CID 11780673) is (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one?
The InChIKey is IHCFVOXZAIASBQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)16-9-10(14)11-7-6-8-12(15)17-11/h6,8,10-11,14H,7,9H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one?
(2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one has a molecular weight of 272.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11780673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).