(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde

C21H32O5Si — CID 52916317

IUPAC(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@]1(C)C=O
InChIInChI=1S/C21H32O5Si/c1-5-27(6-2,7-3)26-19-13-17-18(25-21(19,4)15-22)14-23-20(24-17)16-11-9-8-10-12-16/h8-12,15,17-20H,5-7,13-14H2,1-4H3/t17-,18+,19+,20+,21-/m0/s1
InChIKeyKRFRDZDMLWMOKT-QSUVIHHLSA-N
MW392.57 g/mol
LogP4.24
Rot. Bonds7

About (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde

(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde (PubChem CID 52916317) has the molecular formula C21H32O5Si and a molecular weight of 392.57 g/mol. Its IUPAC name is (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde.

Molecular Properties

Compound Name(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde
PubChem CID52916317
Molecular FormulaC21H32O5Si
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@]1(C)C=O
InChIInChI=1S/C21H32O5Si/c1-5-27(6-2,7-3)26-19-13-17-18(25-21(19,4)15-22)14-23-20(24-17)16-11-9-8-10-12-16/h8-12,15,17-20H,5-7,13-14H2,1-4H3/t17-,18+,19+,20+,21-/m0/s1
InChIKeyKRFRDZDMLWMOKT-QSUVIHHLSA-N
XLogP4.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde with MolForge

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Related Compounds

2-[(2R,4aR,6S,7R,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]acetaldehyde
CID 11732265
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
CID 102054254
(1S,3R,6R,8S,10R,12R,14S)-1-methyl-6-phenyl-14-phenylmethoxy-12-prop-2-enyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecane
CID 11328036
7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 175908136
[(4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] formate
CID 100924061
(1R,3R,7R,9R,11S)-11-phenyl-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-5-one
CID 24895717
2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084
(2S,3R)-3-[[(2R,4S,5R)-5-hydroxy-5-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-methyloxirane-2-carbaldehyde
CID 102113579
(2S,4aR,6R,7R,8S,8aR)-8-[4-(3-fluorophenyl)triazol-1-yl]-2-phenyl-7-triethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 142552524
ethyl 2-[[(1S,3R,8S,10R,12S,13R)-12-ethenyl-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]acetate
CID 177445588
(2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzoate
CID 22910957
[(2R,4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-methylbenzoate
CID 96925827

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde?
The IUPAC name of (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde (CID 52916317) is (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde.
What is the SMILES notation for (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde?
The canonical SMILES for (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde is CC[Si](CC)(CC)O[C@@H]1C[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@]1(C)C=O.
What is the InChIKey of (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde?
The InChIKey is KRFRDZDMLWMOKT-QSUVIHHLSA-N. The full InChI is InChI=1S/C21H32O5Si/c1-5-27(6-2,7-3)26-19-13-17-18(25-21(19,4)15-22)14-23-20(24-17)16-11-9-8-10-12-16/h8-12,15,17-20H,5-7,13-14H2,1-4H3/t17-,18+,19+,20+,21-/m0/s1.
What are the key properties of (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde?
(2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde has a molecular weight of 392.57 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6R,7R,8aS)-6-methyl-2-phenyl-7-triethylsilyloxy-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-6-carbaldehyde is sourced from PubChem (CID 52916317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).