4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid

C38H44N2O7Si2 — CID 136792220

IUPAC4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
SMILESC[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H44N2O7Si2/c1-48(2,25-5-7-37(42)43)47-49(3,4)26-6-8-38(44)46-36-19-11-30(12-20-36)28-40-32-15-23-35(24-16-32)45-34-21-13-31(14-22-34)39-27-29-9-17-33(41)18-10-29/h9-24,27-28,41H,5-8,25-26H2,1-4H3,(H,42,43)/b39-27+,40-28+
InChIKeySKBVJVSSBCBGPS-SDOZPZOWSA-N
MW696.95 g/mol
LogP9.66
Rot. Bonds17

About 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid

4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid (PubChem CID 136792220) has the molecular formula C38H44N2O7Si2 and a molecular weight of 696.95 g/mol. Its IUPAC name is 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid.

Molecular Properties

Compound Name4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
PubChem CID136792220
Molecular FormulaC38H44N2O7Si2
Molecular Weight696.95 g/mol
Exact Mass696.27
IUPAC Name4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
SMILESC[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H44N2O7Si2/c1-48(2,25-5-7-37(42)43)47-49(3,4)26-6-8-38(44)46-36-19-11-30(12-20-36)28-40-32-15-23-35(24-16-32)45-34-21-13-31(14-22-34)39-27-29-9-17-33(41)18-10-29/h9-24,27-28,41H,5-8,25-26H2,1-4H3,(H,42,43)/b39-27+,40-28+
InChIKeySKBVJVSSBCBGPS-SDOZPZOWSA-N
XLogP9.66
TPSA127.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.95
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid with MolForge

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Related Compounds

bis[4-[(4-hydroxyphenyl)iminomethyl]phenyl] propanedioate
CID 171770387
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
[4-[(4-pentoxycarbonyloxyphenyl)iminomethyl]phenyl] pentanoate
CID 3084908
[4-[(4-methylsulfanylphenyl)methylideneamino]phenyl] dodecanoate
CID 71677174
[4-[(4-cyanophenyl)methylideneamino]phenyl] heptanoate
CID 71441580
[4-[(4-cyanophenyl)methylideneamino]phenyl] octanoate
CID 71380754
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
[4-[(3-methoxy-4-octadecanoyloxyphenyl)methylideneamino]phenyl] octadecanoate
CID 102179342
4-[4-[(4-hydroxyphenyl)methylideneamino]anilino]-4-oxobutanoic acid
CID 135609066
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
(4-formylphenyl) octanoate;4-hydroxybenzaldehyde
CID 161257704

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The IUPAC name of 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid (CID 136792220) is 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid.
What is the SMILES notation for 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The canonical SMILES for 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid is C[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The InChIKey is SKBVJVSSBCBGPS-SDOZPZOWSA-N. The full InChI is InChI=1S/C38H44N2O7Si2/c1-48(2,25-5-7-37(42)43)47-49(3,4)26-6-8-38(44)46-36-19-11-30(12-20-36)28-40-32-15-23-35(24-16-32)45-34-21-13-31(14-22-34)39-27-29-9-17-33(41)18-10-29/h9-24,27-28,41H,5-8,25-26H2,1-4H3,(H,42,43)/b39-27+,40-28+.
What are the key properties of 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid has a molecular weight of 696.95 g/mol, XLogP of 9.66, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[4-[[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenoxy]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]butanoic acid is sourced from PubChem (CID 136792220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).