(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde

C13H24O3Si — CID 11821219

IUPAC(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1C=CO[C@@H](C=O)[C@@H]1C
InChIInChI=1S/C13H24O3Si/c1-5-17(6-2,7-3)16-12-8-9-15-13(10-14)11(12)4/h8-13H,5-7H2,1-4H3/t11-,12+,13+/m1/s1
InChIKeyXHLUOPJOXLDLDI-AGIUHOORSA-N
MW256.42 g/mol
LogP3.12
Rot. Bonds6

About (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde

(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 11821219) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde
PubChem CID11821219
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1C=CO[C@@H](C=O)[C@@H]1C
InChIInChI=1S/C13H24O3Si/c1-5-17(6-2,7-3)16-12-8-9-15-13(10-14)11(12)4/h8-13H,5-7H2,1-4H3/t11-,12+,13+/m1/s1
InChIKeyXHLUOPJOXLDLDI-AGIUHOORSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde (CID 11821219) is (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde is CC[Si](CC)(CC)O[C@H]1C=CO[C@@H](C=O)[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is XHLUOPJOXLDLDI-AGIUHOORSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-17(6-2,7-3)16-12-8-9-15-13(10-14)11(12)4/h8-13H,5-7H2,1-4H3/t11-,12+,13+/m1/s1.
What are the key properties of (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde?
(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 256.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 11821219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).