4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde

C23H43NO3Si2 — CID 88977360

IUPAC4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde
SMILESCC(C)(CCCN(CCCC(C)(C)[Si](C)(C)O)c1ccc(C=O)cc1)[Si](C)(C)O
InChIInChI=1S/C23H43NO3Si2/c1-22(2,28(5,6)26)15-9-17-24(21-13-11-20(19-25)12-14-21)18-10-16-23(3,4)29(7,8)27/h11-14,19,26-27H,9-10,15-18H2,1-8H3
InChIKeyWOZQDMDYXRXMIW-UHFFFAOYSA-N
MW437.77 g/mol
LogP5.82
Rot. Bonds12

About 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde

4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde (PubChem CID 88977360) has the molecular formula C23H43NO3Si2 and a molecular weight of 437.77 g/mol. Its IUPAC name is 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde.

Molecular Properties

Compound Name4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde
PubChem CID88977360
Molecular FormulaC23H43NO3Si2
Molecular Weight437.77 g/mol
Exact Mass437.28
IUPAC Name4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde
SMILESCC(C)(CCCN(CCCC(C)(C)[Si](C)(C)O)c1ccc(C=O)cc1)[Si](C)(C)O
InChIInChI=1S/C23H43NO3Si2/c1-22(2,28(5,6)26)15-9-17-24(21-13-11-20(19-25)12-14-21)18-10-16-23(3,4)29(7,8)27/h11-14,19,26-27H,9-10,15-18H2,1-8H3
InChIKeyWOZQDMDYXRXMIW-UHFFFAOYSA-N
XLogP5.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.77
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde?
The IUPAC name of 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde (CID 88977360) is 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde.
What is the SMILES notation for 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde?
The canonical SMILES for 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde is CC(C)(CCCN(CCCC(C)(C)[Si](C)(C)O)c1ccc(C=O)cc1)[Si](C)(C)O.
What is the InChIKey of 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde?
The InChIKey is WOZQDMDYXRXMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO3Si2/c1-22(2,28(5,6)26)15-9-17-24(21-13-11-20(19-25)12-14-21)18-10-16-23(3,4)29(7,8)27/h11-14,19,26-27H,9-10,15-18H2,1-8H3.
What are the key properties of 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde?
4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde has a molecular weight of 437.77 g/mol, XLogP of 5.82, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]amino]benzaldehyde is sourced from PubChem (CID 88977360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).