2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde

C24H28O5 — CID 11749823

IUPAC2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
SMILESC[C@H]1C[C@@H](C[C@H]2C[C@@H](CC=O)O[C@@H](c3ccccc3)O2)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H28O5/c1-17-14-21(28-23(26-17)18-8-4-2-5-9-18)16-22-15-20(12-13-25)27-24(29-22)19-10-6-3-7-11-19/h2-11,13,17,20-24H,12,14-16H2,1H3/t17-,20+,21-,22+,23-,24+/m0/s1
InChIKeyWCDWRCJDSZCTNN-PYTRAXROSA-N
MW396.48 g/mol
LogP4.73
Rot. Bonds6

About 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde

2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 11749823) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
PubChem CID11749823
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
SMILESC[C@H]1C[C@@H](C[C@H]2C[C@@H](CC=O)O[C@@H](c3ccccc3)O2)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C24H28O5/c1-17-14-21(28-23(26-17)18-8-4-2-5-9-18)16-22-15-20(12-13-25)27-24(29-22)19-10-6-3-7-11-19/h2-11,13,17,20-24H,12,14-16H2,1H3/t17-,20+,21-,22+,23-,24+/m0/s1
InChIKeyWCDWRCJDSZCTNN-PYTRAXROSA-N
XLogP4.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(6-methyl-2-phenyl-1,3-dioxan-4-yl)acetate
CID 91609014
2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
CID 25111300
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
CID 91399868
2-[(2S,4S,6S)-6-[(3S)-3-(methoxymethoxy)heptadecyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
CID 24970796
4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)benzoic acid
CID 23561892
4-(4-ethyl-6-methyl-1,3-dioxan-2-yl)pyridine
CID 155766247
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
(E)-4-[(4S,6S)-2,6-diphenyl-1,3-dioxan-4-yl]-1-phenylbut-2-en-1-one
CID 11596131
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
methyl (E)-2-methyl-3-[(4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]prop-2-enoate
CID 10989502
2-[(2R,4aR,6R,8aS)-2-phenyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]acetaldehyde
CID 23255126
(2S)-1-[(2S,4S,6S)-6-[[(2R,4R,6R)-6-heptyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]pent-4-en-2-ol
CID 56849902

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde (CID 11749823) is 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde is C[C@H]1C[C@@H](C[C@H]2C[C@@H](CC=O)O[C@@H](c3ccccc3)O2)O[C@@H](c2ccccc2)O1.
What is the InChIKey of 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is WCDWRCJDSZCTNN-PYTRAXROSA-N. The full InChI is InChI=1S/C24H28O5/c1-17-14-21(28-23(26-17)18-8-4-2-5-9-18)16-22-15-20(12-13-25)27-24(29-22)19-10-6-3-7-11-19/h2-11,13,17,20-24H,12,14-16H2,1H3/t17-,20+,21-,22+,23-,24+/m0/s1.
What are the key properties of 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 396.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6S)-6-[[(2S,4S,6S)-6-methyl-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 11749823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).