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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).