6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one

C19H36O4Si — CID 162417299

IUPAC6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
SMILESCC(C)C1OC(C)(O)C(CO[Si](C(C)C)(C(C)C)C(C)C)=CC1=O
InChIInChI=1S/C19H36O4Si/c1-12(2)18-17(20)10-16(19(9,21)23-18)11-22-24(13(3)4,14(5)6)15(7)8/h10,12-15,18,21H,11H2,1-9H3
InChIKeyFNQNEAVZOLKYDT-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.44
Rot. Bonds7

About 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one

6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one (PubChem CID 162417299) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
PubChem CID162417299
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one
SMILESCC(C)C1OC(C)(O)C(CO[Si](C(C)C)(C(C)C)C(C)C)=CC1=O
InChIInChI=1S/C19H36O4Si/c1-12(2)18-17(20)10-16(19(9,21)23-18)11-22-24(13(3)4,14(5)6)15(7)8/h10,12-15,18,21H,11H2,1-9H3
InChIKeyFNQNEAVZOLKYDT-UHFFFAOYSA-N
XLogP4.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.44
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

(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
(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
(2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
CID 12041727
(2S)-2-[(2S)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730190
(2S)-2-[(2R)-but-3-en-2-yl]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hydroxypyran-3-one
CID 23730195
(2R,6R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-6-hydroxy-5,6-dimethylpyran-3-one
CID 101219216

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one?
The IUPAC name of 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one (CID 162417299) is 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one.
What is the SMILES notation for 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one?
The canonical SMILES for 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one is CC(C)C1OC(C)(O)C(CO[Si](C(C)C)(C(C)C)C(C)C)=CC1=O.
What is the InChIKey of 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one?
The InChIKey is FNQNEAVZOLKYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-12(2)18-17(20)10-16(19(9,21)23-18)11-22-24(13(3)4,14(5)6)15(7)8/h10,12-15,18,21H,11H2,1-9H3.
What are the key properties of 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one?
6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one has a molecular weight of 356.58 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-2-propan-2-yl-5-[tri(propan-2-yl)silyloxymethyl]pyran-3-one is sourced from PubChem (CID 162417299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).