2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde

C58H106O7Si4 — CID 164671742

IUPAC2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde
SMILESCC1(C)O[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](CC=O)O1
InChIInChI=1S/C58H106O7Si4/c1-54(2,3)66(15,16)63-47(32-27-28-45-60-69(57(10,11)12,52-39-23-21-24-40-52)53-41-25-22-26-42-53)33-29-34-48(64-67(17,18)55(4,5)6)35-30-36-49(65-68(19,20)56(7,8)9)37-31-38-50-46-51(43-44-59)62-58(13,14)61-50/h21-26,39-42,44,47-51H,27-38,43,45-46H2,1-20H3/t47-,48-,49-,50+,51-/m0/s1
InChIKeyCPSZLGMMBIUWHS-JMLYOVTISA-N
MW1027.82 g/mol
LogP15.91
Rot. Bonds28

About 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde

2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde (PubChem CID 164671742) has the molecular formula C58H106O7Si4 and a molecular weight of 1027.82 g/mol. Its IUPAC name is 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde
PubChem CID164671742
Molecular FormulaC58H106O7Si4
Molecular Weight1027.82 g/mol
Exact Mass1026.70
IUPAC Name2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde
SMILESCC1(C)O[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](CC=O)O1
InChIInChI=1S/C58H106O7Si4/c1-54(2,3)66(15,16)63-47(32-27-28-45-60-69(57(10,11)12,52-39-23-21-24-40-52)53-41-25-22-26-42-53)33-29-34-48(64-67(17,18)55(4,5)6)35-30-36-49(65-68(19,20)56(7,8)9)37-31-38-50-46-51(43-44-59)62-58(13,14)61-50/h21-26,39-42,44,47-51H,27-38,43,45-46H2,1-20H3/t47-,48-,49-,50+,51-/m0/s1
InChIKeyCPSZLGMMBIUWHS-JMLYOVTISA-N
XLogP15.91
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.82
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde (CID 164671742) is 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde is CC1(C)O[C@H](CCC[C@H](CCC[C@H](CCC[C@H](CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H](CC=O)O1.
What is the InChIKey of 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde?
The InChIKey is CPSZLGMMBIUWHS-JMLYOVTISA-N. The full InChI is InChI=1S/C58H106O7Si4/c1-54(2,3)66(15,16)63-47(32-27-28-45-60-69(57(10,11)12,52-39-23-21-24-40-52)53-41-25-22-26-42-53)33-29-34-48(64-67(17,18)55(4,5)6)35-30-36-49(65-68(19,20)56(7,8)9)37-31-38-50-46-51(43-44-59)62-58(13,14)61-50/h21-26,39-42,44,47-51H,27-38,43,45-46H2,1-20H3/t47-,48-,49-,50+,51-/m0/s1.
What are the key properties of 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde?
2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde has a molecular weight of 1027.82 g/mol, XLogP of 15.91, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-2,2-dimethyl-6-[(4R,8S,12S)-4,8,12-tris[[tert-butyl(dimethyl)silyl]oxy]-16-[tert-butyl(diphenyl)silyl]oxyhexadecyl]-1,3-dioxan-4-yl]acetaldehyde is sourced from PubChem (CID 164671742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).