(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one

C16H30O3Si — CID 53343689

IUPAC(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
SMILESCC(C)[Si](OCC[C@@H]1CC=CC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-12(2)20(13(3)4,14(5)6)18-11-10-15-8-7-9-16(17)19-15/h7,9,12-15H,8,10-11H2,1-6H3/t15-/m0/s1
InChIKeyLIMMXRSNGVINTP-HNNXBMFYSA-N
MW298.50 g/mol
LogP4.44
Rot. Bonds7

About (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one

(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one (PubChem CID 53343689) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
PubChem CID53343689
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
SMILESCC(C)[Si](OCC[C@@H]1CC=CC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-12(2)20(13(3)4,14(5)6)18-11-10-15-8-7-9-16(17)19-15/h7,9,12-15H,8,10-11H2,1-6H3/t15-/m0/s1
InChIKeyLIMMXRSNGVINTP-HNNXBMFYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 11097260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one (CID 53343689) is (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one is CC(C)[Si](OCC[C@@H]1CC=CC(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one?
The InChIKey is LIMMXRSNGVINTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12(2)20(13(3)4,14(5)6)18-11-10-15-8-7-9-16(17)19-15/h7,9,12-15H,8,10-11H2,1-6H3/t15-/m0/s1.
What are the key properties of (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one?
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one has a molecular weight of 298.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 53343689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).