3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal

C25H45NO3Si2 — CID 139740845

IUPAC3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C=CC=O)cc1
InChIInChI=1S/C25H45NO3Si2/c1-24(2,3)30(7,8)28-20-17-26(18-21-29-31(9,10)25(4,5)6)23-15-13-22(14-16-23)12-11-19-27/h11-16,19H,17-18,20-21H2,1-10H3
InChIKeyOZTDGGLERXKVSN-UHFFFAOYSA-N
MW463.81 g/mol
LogP6.75
Rot. Bonds11

About 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal

3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal (PubChem CID 139740845) has the molecular formula C25H45NO3Si2 and a molecular weight of 463.81 g/mol. Its IUPAC name is 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal.

Molecular Properties

Compound Name3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal
PubChem CID139740845
Molecular FormulaC25H45NO3Si2
Molecular Weight463.81 g/mol
Exact Mass463.29
IUPAC Name3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C=CC=O)cc1
InChIInChI=1S/C25H45NO3Si2/c1-24(2,3)30(7,8)28-20-17-26(18-21-29-31(9,10)25(4,5)6)23-15-13-22(14-16-23)12-11-19-27/h11-16,19H,17-18,20-21H2,1-10H3
InChIKeyOZTDGGLERXKVSN-UHFFFAOYSA-N
XLogP6.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.81
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2-trimethylsilylethynyl)aniline
CID 59370991
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
3,4-dibutoxy-5-[(E)-2-[3,4-dibutoxy-5-[(E)-2-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl-ethylamino]phenyl]ethenyl]thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde
CID 58609105
3-[(E)-2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-ethylamino]phenyl]ethenyl]-2-butylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
CID 131843520
2-[4-[3-[3-[2-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3-cyano-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 123357773
2-[4-[(E,3E)-3-[3-[(E)-2-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3-cyano-5,5-dimethylthiophen-2-ylidene]propanedinitrile
CID 89366892
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
(E)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enal
CID 58898607
3-[4-[bis(2,4,4-trimethyl-3-silyloxypentan-2-yl)amino]phenyl]prop-2-enal
CID 123879974
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline
CID 170900396
2-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-ethylamino]phenyl]cyclohex-2-en-1-ylidene]propanedinitrile
CID 101239492

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal?
The IUPAC name of 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal (CID 139740845) is 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal.
What is the SMILES notation for 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal?
The canonical SMILES for 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal is CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(C=CC=O)cc1.
What is the InChIKey of 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal?
The InChIKey is OZTDGGLERXKVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO3Si2/c1-24(2,3)30(7,8)28-20-17-26(18-21-29-31(9,10)25(4,5)6)23-15-13-22(14-16-23)12-11-19-27/h11-16,19H,17-18,20-21H2,1-10H3.
What are the key properties of 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal?
3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal has a molecular weight of 463.81 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal is sourced from PubChem (CID 139740845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).