(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one

C19H36O3Si — CID 134969811

IUPAC(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H]1CC(=O)C(C)=C(C)O1
InChIInChI=1S/C19H36O3Si/c1-9-23(10-2,11-3)22-19(13(4)5)15(7)18-12-17(20)14(6)16(8)21-18/h13,15,18-19H,9-12H2,1-8H3/t15-,18+,19+/m0/s1
InChIKeyLEEXBTUVHCEKHC-KFKAGJAMSA-N
MW340.58 g/mol
LogP5.32
Rot. Bonds8

About (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one

(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one (PubChem CID 134969811) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one
PubChem CID134969811
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one
SMILESCC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H]1CC(=O)C(C)=C(C)O1
InChIInChI=1S/C19H36O3Si/c1-9-23(10-2,11-3)22-19(13(4)5)15(7)18-12-17(20)14(6)16(8)21-18/h13,15,18-19H,9-12H2,1-8H3/t15-,18+,19+/m0/s1
InChIKeyLEEXBTUVHCEKHC-KFKAGJAMSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one with MolForge

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Launch Full Analysis

Related Compounds

Membrenone B
CID 45028040
Membrenone A
CID 45028039
(-)-membrenone B
CID 11772560
[(2R,3R,4R)-2-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] (2R)-2-methylbutanoate
CID 162921871
[(2R,3R,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] propanoate
CID 163035579
(+)-Membrenone C
CID 11500929
(-)-Membrenone C
CID 11484425
[(2S,3R,4S)-2-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] (2S)-2-methylbutanoate
CID 11406374
[(2S,3R,4S)-2-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] (2R)-2-methylbutanoate
CID 21577998
[2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] (2R)-2-methylbutanoate
CID 22832793
[2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] propanoate
CID 22832794
6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one
CID 22832795

Frequently Asked Questions

What is the IUPAC name of (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one (CID 134969811) is (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one is CC[Si](CC)(CC)O[C@H](C(C)C)[C@@H](C)[C@H]1CC(=O)C(C)=C(C)O1.
What is the InChIKey of (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one?
The InChIKey is LEEXBTUVHCEKHC-KFKAGJAMSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-23(10-2,11-3)22-19(13(4)5)15(7)18-12-17(20)14(6)16(8)21-18/h13,15,18-19H,9-12H2,1-8H3/t15-,18+,19+/m0/s1.
What are the key properties of (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one?
(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one has a molecular weight of 340.58 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 134969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).