2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol

C27H42N2O2Si2 — CID 137143376

IUPAC2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol
SMILESCCc1cc([Si](C)(C)C)cc(/C=N/CCC/N=C/c2cc([Si](C)(C)C)cc(CC)c2O)c1O
InChIInChI=1S/C27H42N2O2Si2/c1-9-20-14-24(32(3,4)5)16-22(26(20)30)18-28-12-11-13-29-19-23-17-25(33(6,7)8)15-21(10-2)27(23)31/h14-19,30-31H,9-13H2,1-8H3/b28-18+,29-19+
InChIKeyDELVMPIFJVOZAE-UOSOPFLXSA-N
MW482.82 g/mol
LogP5.24
Rot. Bonds10

About 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol

2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol (PubChem CID 137143376) has the molecular formula C27H42N2O2Si2 and a molecular weight of 482.82 g/mol. Its IUPAC name is 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol.

Molecular Properties

Compound Name2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol
PubChem CID137143376
Molecular FormulaC27H42N2O2Si2
Molecular Weight482.82 g/mol
Exact Mass482.28
IUPAC Name2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol
SMILESCCc1cc([Si](C)(C)C)cc(/C=N/CCC/N=C/c2cc([Si](C)(C)C)cc(CC)c2O)c1O
InChIInChI=1S/C27H42N2O2Si2/c1-9-20-14-24(32(3,4)5)16-22(26(20)30)18-28-12-11-13-29-19-23-17-25(33(6,7)8)15-21(10-2)27(23)31/h14-19,30-31H,9-13H2,1-8H3/b28-18+,29-19+
InChIKeyDELVMPIFJVOZAE-UOSOPFLXSA-N
XLogP5.24
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.82
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-2-[2-[(5-butan-2-yl-3-ethyl-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-6-ethylphenol
CID 137047505
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
cobalt(2+);2,4-dibutyl-6-[3-[(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;diacetate
CID 162242811
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248
2,4-di(butan-2-yl)-6-[3-[[3,5-di(butan-2-yl)-2-hydroxyphenyl]methylideneamino]propyliminomethyl]phenol
CID 137119188
2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol
CID 136726824
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 137167260
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
5-ethyl-3-[2-[(5-ethyl-2-hydroxythiophen-3-yl)methylideneamino]ethyliminomethyl]thiophen-2-ol
CID 2172807
2-[[2-(dimethylamino)ethyl-ethylamino]methyl]-6-[3-(dimethylamino)propyliminomethyl]-4-methylphenol
CID 139155758
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol?
The IUPAC name of 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol (CID 137143376) is 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol.
What is the SMILES notation for 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol?
The canonical SMILES for 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol is CCc1cc([Si](C)(C)C)cc(/C=N/CCC/N=C/c2cc([Si](C)(C)C)cc(CC)c2O)c1O.
What is the InChIKey of 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol?
The InChIKey is DELVMPIFJVOZAE-UOSOPFLXSA-N. The full InChI is InChI=1S/C27H42N2O2Si2/c1-9-20-14-24(32(3,4)5)16-22(26(20)30)18-28-12-11-13-29-19-23-17-25(33(6,7)8)15-21(10-2)27(23)31/h14-19,30-31H,9-13H2,1-8H3/b28-18+,29-19+.
What are the key properties of 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol?
2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol has a molecular weight of 482.82 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-[(3-ethyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]propyliminomethyl]-4-trimethylsilylphenol is sourced from PubChem (CID 137143376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).