(4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one

C19H36O3Si — CID 11325285

IUPAC(4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one
SMILESCC(=O)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H36O3Si/c1-15(13-16(2)20)14-18-10-8-9-17(22-18)11-12-21-23(6,7)19(3,4)5/h8-9,15,17-18H,10-14H2,1-7H3/t15-,17-,18-/m0/s1
InChIKeyOALJZPXFCZKCLL-SZMVWBNQSA-N
MW340.58 g/mol
LogP5.12
Rot. Bonds8

About (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one

(4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one (PubChem CID 11325285) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name(4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one
PubChem CID11325285
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one
SMILESCC(=O)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H36O3Si/c1-15(13-16(2)20)14-18-10-8-9-17(22-18)11-12-21-23(6,7)19(3,4)5/h8-9,15,17-18H,10-14H2,1-7H3/t15-,17-,18-/m0/s1
InChIKeyOALJZPXFCZKCLL-SZMVWBNQSA-N
XLogP5.12
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 ≤ 55.12
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)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one?
The IUPAC name of (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one (CID 11325285) is (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one.
What is the SMILES notation for (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one?
The canonical SMILES for (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one is CC(=O)C[C@H](C)C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one?
The InChIKey is OALJZPXFCZKCLL-SZMVWBNQSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-15(13-16(2)20)14-18-10-8-9-17(22-18)11-12-21-23(6,7)19(3,4)5/h8-9,15,17-18H,10-14H2,1-7H3/t15-,17-,18-/m0/s1.
What are the key properties of (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one?
(4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one has a molecular weight of 340.58 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-one is sourced from PubChem (CID 11325285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).