3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde

C51H56O7Si — CID 11104789

IUPAC3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
SMILESC[Si](C)(C)OCc1cccc(COCc2cccc(COCc3cccc(COCc4cccc(COCc5cccc(COCc6cccc(C=O)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C51H56O7Si/c1-59(2,3)58-39-51-21-9-20-50(27-51)38-57-37-49-19-8-18-48(26-49)36-56-35-47-17-7-16-46(25-47)34-55-33-45-15-6-14-44(24-45)32-54-31-43-13-5-12-42(23-43)30-53-29-41-11-4-10-40(22-41)28-52/h4-28H,29-39H2,1-3H3
InChIKeyBFWAVTIKWORUBT-UHFFFAOYSA-N
MW809.09 g/mol
LogP11.43
Rot. Bonds24

About 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde

3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde (PubChem CID 11104789) has the molecular formula C51H56O7Si and a molecular weight of 809.09 g/mol. Its IUPAC name is 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde.

Molecular Properties

Compound Name3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
PubChem CID11104789
Molecular FormulaC51H56O7Si
Molecular Weight809.09 g/mol
Exact Mass808.38
IUPAC Name3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
SMILESC[Si](C)(C)OCc1cccc(COCc2cccc(COCc3cccc(COCc4cccc(COCc5cccc(COCc6cccc(C=O)c6)c5)c4)c3)c2)c1
InChIInChI=1S/C51H56O7Si/c1-59(2,3)58-39-51-21-9-20-50(27-51)38-57-37-49-19-8-18-48(26-49)36-56-35-47-17-7-16-46(25-47)34-55-33-45-15-6-14-44(24-45)32-54-31-43-13-5-12-42(23-43)30-53-29-41-11-4-10-40(22-41)28-52/h4-28H,29-39H2,1-3H3
InChIKeyBFWAVTIKWORUBT-UHFFFAOYSA-N
XLogP11.43
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.09
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde?
The IUPAC name of 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde (CID 11104789) is 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde.
What is the SMILES notation for 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde?
The canonical SMILES for 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde is C[Si](C)(C)OCc1cccc(COCc2cccc(COCc3cccc(COCc4cccc(COCc5cccc(COCc6cccc(C=O)c6)c5)c4)c3)c2)c1.
What is the InChIKey of 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde?
The InChIKey is BFWAVTIKWORUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56O7Si/c1-59(2,3)58-39-51-21-9-20-50(27-51)38-57-37-49-19-8-18-48(26-49)36-56-35-47-17-7-16-46(25-47)34-55-33-45-15-6-14-44(24-45)32-54-31-43-13-5-12-42(23-43)30-53-29-41-11-4-10-40(22-41)28-52/h4-28H,29-39H2,1-3H3.
What are the key properties of 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde?
3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde has a molecular weight of 809.09 g/mol, XLogP of 11.43, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[3-[[3-[[3-[[3-(trimethylsilyloxymethyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde is sourced from PubChem (CID 11104789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).