3,5-ditert-butyl-2-hydroxybenzaldehyde

C15H22O2 — CID 688023

IUPAC3,5-ditert-butyl-2-hydroxybenzaldehyde
SMILESCC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
InChIKeyRRIQVLZDOZPJTH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.80
Rot. Bonds1

About 3,5-ditert-butyl-2-hydroxybenzaldehyde

3,5-ditert-butyl-2-hydroxybenzaldehyde (PubChem CID 688023) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-ditert-butyl-2-hydroxybenzaldehyde
PubChem CID688023
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3,5-ditert-butyl-2-hydroxybenzaldehyde
SMILESCC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
InChIKeyRRIQVLZDOZPJTH-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-hydroxybenzaldehyde?
The IUPAC name of 3,5-ditert-butyl-2-hydroxybenzaldehyde (CID 688023) is 3,5-ditert-butyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-ditert-butyl-2-hydroxybenzaldehyde?
The canonical SMILES for 3,5-ditert-butyl-2-hydroxybenzaldehyde is CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-2-hydroxybenzaldehyde?
The InChIKey is RRIQVLZDOZPJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3.
What are the key properties of 3,5-ditert-butyl-2-hydroxybenzaldehyde?
3,5-ditert-butyl-2-hydroxybenzaldehyde has a molecular weight of 234.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 688023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).