(4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one

C19H36O3Si — CID 11371231

IUPAC(4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one
SMILESCC[Si](CC)(CC)OCC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(C)=O)O1
InChIInChI=1S/C19H36O3Si/c1-6-23(7-2,8-3)21-13-12-18-10-9-11-19(22-18)15-16(4)14-17(5)20/h9-10,16,18-19H,6-8,11-15H2,1-5H3/t16-,18-,19-/m0/s1
InChIKeySCOGYTTVADKCSX-WDSOQIARSA-N
MW340.58 g/mol
LogP5.12
Rot. Bonds11

About (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one

(4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one (PubChem CID 11371231) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one
PubChem CID11371231
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one
SMILESCC[Si](CC)(CC)OCC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(C)=O)O1
InChIInChI=1S/C19H36O3Si/c1-6-23(7-2,8-3)21-13-12-18-10-9-11-19(22-18)15-16(4)14-17(5)20/h9-10,16,18-19H,6-8,11-15H2,1-5H3/t16-,18-,19-/m0/s1
InChIKeySCOGYTTVADKCSX-WDSOQIARSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one?
The IUPAC name of (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one (CID 11371231) is (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one.
What is the SMILES notation for (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one?
The canonical SMILES for (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one is CC[Si](CC)(CC)OCC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(C)=O)O1.
What is the InChIKey of (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one?
The InChIKey is SCOGYTTVADKCSX-WDSOQIARSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-6-23(7-2,8-3)21-13-12-18-10-9-11-19(22-18)15-16(4)14-17(5)20/h9-10,16,18-19H,6-8,11-15H2,1-5H3/t16-,18-,19-/m0/s1.
What are the key properties of (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one?
(4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one has a molecular weight of 340.58 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-5-[(2R,6R)-6-(2-triethylsilyloxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentan-2-one is sourced from PubChem (CID 11371231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).