2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde

C26H36O4Si — CID 25111300

IUPAC2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC[C@H]2C[C@@H](CC=O)O[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C26H36O4Si/c1-26(2,3)31(4,5)30-22-14-11-20(12-15-22)13-16-23-19-24(17-18-27)29-25(28-23)21-9-7-6-8-10-21/h6-12,14-15,18,23-25H,13,16-17,19H2,1-5H3/t23-,24+,25-/m0/s1
InChIKeyUYVLLTWTVCDPFC-GVAUOCQISA-N
MW440.66 g/mol
LogP6.47
Rot. Bonds8

About 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde

2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 25111300) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
PubChem CID25111300
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Name2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CC[C@H]2C[C@@H](CC=O)O[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C26H36O4Si/c1-26(2,3)31(4,5)30-22-14-11-20(12-15-22)13-16-23-19-24(17-18-27)29-25(28-23)21-9-7-6-8-10-21/h6-12,14-15,18,23-25H,13,16-17,19H2,1-5H3/t23-,24+,25-/m0/s1
InChIKeyUYVLLTWTVCDPFC-GVAUOCQISA-N
XLogP6.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.66
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]butanal
CID 155935075
2-[(2S,4S,6S)-6-[(3S)-3-(methoxymethoxy)heptadecyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde
CID 24970796
N-methoxy-N-methyl-2-[(2R,4R,6R)-2-phenyl-6-(4-phenylbutyl)-1,3-dioxan-4-yl]acetamide
CID 11211665
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
1-[(2S,4R,6S)-2-tert-butyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]propan-2-one
CID 101262655
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
tert-butyl 2-[(2R,4R,6R)-6-[2-[bis(prop-2-enyl)amino]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetate
CID 71579035
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
(2S,4S,6R)-4-benzyl-2-(4-methoxyphenyl)-6-prop-2-enyl-1,3-dioxane
CID 102019920
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde (CID 25111300) is 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde is CC(C)(C)[Si](C)(C)Oc1ccc(CC[C@H]2C[C@@H](CC=O)O[C@@H](c3ccccc3)O2)cc1.
What is the InChIKey of 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is UYVLLTWTVCDPFC-GVAUOCQISA-N. The full InChI is InChI=1S/C26H36O4Si/c1-26(2,3)31(4,5)30-22-14-11-20(12-15-22)13-16-23-19-24(17-18-27)29-25(28-23)21-9-7-6-8-10-21/h6-12,14-15,18,23-25H,13,16-17,19H2,1-5H3/t23-,24+,25-/m0/s1.
What are the key properties of 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde?
2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 440.66 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S,6S)-6-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-2-phenyl-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 25111300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).