2,3,5,6-tetramethylbenzaldehyde

C11H14O — CID 11116362

IUPAC2,3,5,6-tetramethylbenzaldehyde
SMILESCc1cc(C)c(C)c(C=O)c1C
InChIInChI=1S/C11H14O/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5-6H,1-4H3
InChIKeyRCPYGAYAQAHJMN-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.73
Rot. Bonds1

About 2,3,5,6-tetramethylbenzaldehyde

2,3,5,6-tetramethylbenzaldehyde (PubChem CID 11116362) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,3,5,6-tetramethylbenzaldehyde.

Molecular Properties

Compound Name2,3,5,6-tetramethylbenzaldehyde
PubChem CID11116362
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2,3,5,6-tetramethylbenzaldehyde
SMILESCc1cc(C)c(C)c(C=O)c1C
InChIInChI=1S/C11H14O/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5-6H,1-4H3
InChIKeyRCPYGAYAQAHJMN-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylbenzaldehyde?
The IUPAC name of 2,3,5,6-tetramethylbenzaldehyde (CID 11116362) is 2,3,5,6-tetramethylbenzaldehyde.
What is the SMILES notation for 2,3,5,6-tetramethylbenzaldehyde?
The canonical SMILES for 2,3,5,6-tetramethylbenzaldehyde is Cc1cc(C)c(C)c(C=O)c1C.
What is the InChIKey of 2,3,5,6-tetramethylbenzaldehyde?
The InChIKey is RCPYGAYAQAHJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5-6H,1-4H3.
What are the key properties of 2,3,5,6-tetramethylbenzaldehyde?
2,3,5,6-tetramethylbenzaldehyde has a molecular weight of 162.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylbenzaldehyde is sourced from PubChem (CID 11116362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).