acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol

C26H41NO3Si — CID 162328467

IUPACacetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
SMILESCC(=O)O.CC(C)(C)c1cc(CC[Si](C)(C)c2ccc(N)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H37NOSi.C2H4O2/c1-23(2,3)20-15-17(16-21(22(20)26)24(4,5)6)13-14-27(7,8)19-11-9-18(25)10-12-19;1-2(3)4/h9-12,15-16,26H,13-14,25H2,1-8H3;1H3,(H,3,4)
InChIKeyRKBGISZZHODGGF-UHFFFAOYSA-N
MW443.70 g/mol
LogP5.82
Rot. Bonds4

About acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol

acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol (PubChem CID 162328467) has the molecular formula C26H41NO3Si and a molecular weight of 443.70 g/mol. Its IUPAC name is acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Nameacetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
PubChem CID162328467
Molecular FormulaC26H41NO3Si
Molecular Weight443.70 g/mol
Exact Mass443.29
IUPAC Nameacetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
SMILESCC(=O)O.CC(C)(C)c1cc(CC[Si](C)(C)c2ccc(N)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H37NOSi.C2H4O2/c1-23(2,3)20-15-17(16-21(22(20)26)24(4,5)6)13-14-27(7,8)19-11-9-18(25)10-12-19;1-2(3)4/h9-12,15-16,26H,13-14,25H2,1-8H3;1H3,(H,3,4)
InChIKeyRKBGISZZHODGGF-UHFFFAOYSA-N
XLogP5.82
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.70
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
4-[1-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
CID 19971859
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21277501
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911
4-[[(4-aminophenyl)-dimethylsilyl]methylsulfanyl]-2,5-ditert-butylphenol
CID 19971913
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;ethene;methane
CID 159967546
N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
CID 143771604
N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide
CID 21277505

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
The IUPAC name of acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol (CID 162328467) is acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol.
What is the SMILES notation for acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
The canonical SMILES for acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol is CC(=O)O.CC(C)(C)c1cc(CC[Si](C)(C)c2ccc(N)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
The InChIKey is RKBGISZZHODGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NOSi.C2H4O2/c1-23(2,3)20-15-17(16-21(22(20)26)24(4,5)6)13-14-27(7,8)19-11-9-18(25)10-12-19;1-2(3)4/h9-12,15-16,26H,13-14,25H2,1-8H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol?
acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol has a molecular weight of 443.70 g/mol, XLogP of 5.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 162328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).