(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one

C16H30O3Si — CID 10827967

IUPAC(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one
SMILESCC(C)[Si](OC[C@@H]1OC=CC(=O)[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-11(2)20(12(3)4,13(5)6)19-10-16-14(7)15(17)8-9-18-16/h8-9,11-14,16H,10H2,1-7H3/t14-,16-/m0/s1
InChIKeySKZLWCFLKJAAJC-HOCLYGCPSA-N
MW298.50 g/mol
LogP4.30
Rot. Bonds6

About (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one

(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one (PubChem CID 10827967) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one
PubChem CID10827967
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one
SMILESCC(C)[Si](OC[C@@H]1OC=CC(=O)[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-11(2)20(12(3)4,13(5)6)19-10-16-14(7)15(17)8-9-18-16/h8-9,11-14,16H,10H2,1-7H3/t14-,16-/m0/s1
InChIKeySKZLWCFLKJAAJC-HOCLYGCPSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one with MolForge

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 173575576
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-4-one
CID 9859630
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 10466925
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 101184079
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-4-one
CID 101994531
(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 122213516
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 122213517

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one (CID 10827967) is (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one is CC(C)[Si](OC[C@@H]1OC=CC(=O)[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one?
The InChIKey is SKZLWCFLKJAAJC-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-11(2)20(12(3)4,13(5)6)19-10-16-14(7)15(17)8-9-18-16/h8-9,11-14,16H,10H2,1-7H3/t14-,16-/m0/s1.
What are the key properties of (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one?
(2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one has a molecular weight of 298.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 10827967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).