(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde

C14H16O6 — CID 135041449

IUPAC(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde
SMILESCO[C@H](C=O)OC1COC(c2ccccc2)O[C@H]1C=O
InChIInChI=1S/C14H16O6/c1-17-13(8-16)19-12-9-18-14(20-11(12)7-15)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12?,13-,14?/m0/s1
InChIKeyIIRCYRAUNPQZCO-AHPWVWPOSA-N
MW280.28 g/mol
LogP0.86
Rot. Bonds6

About (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde

(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde (PubChem CID 135041449) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde
PubChem CID135041449
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde
SMILESCO[C@H](C=O)OC1COC(c2ccccc2)O[C@H]1C=O
InChIInChI=1S/C14H16O6/c1-17-13(8-16)19-12-9-18-14(20-11(12)7-15)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12?,13-,14?/m0/s1
InChIKeyIIRCYRAUNPQZCO-AHPWVWPOSA-N
XLogP0.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,4R,4aR,6R,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbaldehyde
CID 680159
methyl (E)-3-[(4S,5R)-2-phenyl-5-tri(propan-2-yl)silyloxy-1,3-dioxan-4-yl]prop-2-enoate
CID 59558876
(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxane-4-carbaldehyde
CID 132574699
methyl (E)-3-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate;methyl (E)-3-[(4S,5R)-2-phenyl-5-tri(propan-2-yl)silyloxy-1,3-dioxan-4-yl]prop-2-enoate
CID 159075951
[(2R,4aR,6R,7R,8S,8aR)-8-acetyloxy-6-formyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate
CID 11279979
(E)-3-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]prop-2-enoic acid
CID 70003261
(2S,3S)-2-amino-3-methoxy-3-[[(4S)-4-methyl-2-phenyl-1,3-dioxan-5-yl]oxy]propan-1-ol
CID 129100034
methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559
1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol
CID 155589485
(4R,5S)-2-phenyl-4-[(E)-prop-1-enyl]-1,3-dioxan-5-amine
CID 167196970
7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 175908136
2-[(2R,4aR,6S,8S,8aS)-6-methoxy-7-oxo-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]acetaldehyde
CID 101369188

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde?
The IUPAC name of (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde (CID 135041449) is (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde.
What is the SMILES notation for (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde?
The canonical SMILES for (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde is CO[C@H](C=O)OC1COC(c2ccccc2)O[C@H]1C=O.
What is the InChIKey of (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde?
The InChIKey is IIRCYRAUNPQZCO-AHPWVWPOSA-N. The full InChI is InChI=1S/C14H16O6/c1-17-13(8-16)19-12-9-18-14(20-11(12)7-15)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12?,13-,14?/m0/s1.
What are the key properties of (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde?
(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde has a molecular weight of 280.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde is sourced from PubChem (CID 135041449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).