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'}

Analyze 2,3,5,6-tetramethylbenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

CID 4807
CID 4807
CID 517827
CID 517827
CID 7725
CID 7725
CID 10722
CID 10722
CID 6195
CID 6195
CID 20861
CID 20861
CID 326
CID 326
CID 7146
CID 7146
CID 10254
CID 10254
CID 12105
CID 12105
CID 6985
CID 6985
CID 61814
CID 61814

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).