(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one

C17H32O3Si — CID 10852623

IUPAC(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one
SMILESCCC[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)O1
InChIInChI=1S/C17H32O3Si/c1-8-9-14-10-11-15(18)16(20-14)12-19-21(6,7)17(4,5)13(2)3/h10-11,13-14,16H,8-9,12H2,1-7H3/t14-,16-/m1/s1
InChIKeyWYGJVIKIRUSNEZ-GDBMZVCRSA-N
MW312.53 g/mol
LogP4.34
Rot. Bonds7

About (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one

(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one (PubChem CID 10852623) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one.

Molecular Properties

Compound Name(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one
PubChem CID10852623
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one
SMILESCCC[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)O1
InChIInChI=1S/C17H32O3Si/c1-8-9-14-10-11-15(18)16(20-14)12-19-21(6,7)17(4,5)13(2)3/h10-11,13-14,16H,8-9,12H2,1-7H3/t14-,16-/m1/s1
InChIKeyWYGJVIKIRUSNEZ-GDBMZVCRSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one with MolForge

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Related Compounds

(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-isopentyloxy-2H-pyran-5-one
CID 53304832
[(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[tert-butyl(dimethyl)silyl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate
CID 138975804
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 72751406
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 11208376
(2R,6S)-6-[(2S)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
CID 23730191
(2R,6S)-6-[(2R)-but-3-en-2-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2H-pyran-5-one
CID 23730308
(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyl-2H-pyran-5-one
CID 50993173
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 101115177

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one?
The IUPAC name of (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one (CID 10852623) is (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one.
What is the SMILES notation for (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one?
The canonical SMILES for (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one is CCC[C@@H]1C=CC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C(C)C)O1.
What is the InChIKey of (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one?
The InChIKey is WYGJVIKIRUSNEZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-9-14-10-11-15(18)16(20-14)12-19-21(6,7)17(4,5)13(2)3/h10-11,13-14,16H,8-9,12H2,1-7H3/t14-,16-/m1/s1.
What are the key properties of (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one?
(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one has a molecular weight of 312.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one is sourced from PubChem (CID 10852623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).