2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde

C17H26O4 — CID 89124194

IUPAC2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde
SMILESCC(C)(O)c1cc(C(C)(C)O)c(CC=O)c(C(C)(C)O)c1
InChIInChI=1S/C17H26O4/c1-15(2,19)11-9-13(16(3,4)20)12(7-8-18)14(10-11)17(5,6)21/h8-10,19-21H,7H2,1-6H3
InChIKeyUOFGJGIFLUCWIS-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.11
Rot. Bonds5

About 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde

2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde (PubChem CID 89124194) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde
PubChem CID89124194
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde
SMILESCC(C)(O)c1cc(C(C)(C)O)c(CC=O)c(C(C)(C)O)c1
InChIInChI=1S/C17H26O4/c1-15(2,19)11-9-13(16(3,4)20)12(7-8-18)14(10-11)17(5,6)21/h8-10,19-21H,7H2,1-6H3
InChIKeyUOFGJGIFLUCWIS-UHFFFAOYSA-N
XLogP2.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde?
The IUPAC name of 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde (CID 89124194) is 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde is CC(C)(O)c1cc(C(C)(C)O)c(CC=O)c(C(C)(C)O)c1.
What is the InChIKey of 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde?
The InChIKey is UOFGJGIFLUCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-15(2,19)11-9-13(16(3,4)20)12(7-8-18)14(10-11)17(5,6)21/h8-10,19-21H,7H2,1-6H3.
What are the key properties of 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde?
2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde has a molecular weight of 294.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,6-tris(2-hydroxypropan-2-yl)phenyl]acetaldehyde is sourced from PubChem (CID 89124194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).