2-ethyl-3,4,5,6-tetramethylbenzaldehyde

C13H18O — CID 71410306

IUPAC2-ethyl-3,4,5,6-tetramethylbenzaldehyde
SMILESCCc1c(C)c(C)c(C)c(C)c1C=O
InChIInChI=1S/C13H18O/c1-6-12-10(4)8(2)9(3)11(5)13(12)7-14/h7H,6H2,1-5H3
InChIKeyKBNHZJLHQQCOAW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.30
Rot. Bonds2

About 2-ethyl-3,4,5,6-tetramethylbenzaldehyde

2-ethyl-3,4,5,6-tetramethylbenzaldehyde (PubChem CID 71410306) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-ethyl-3,4,5,6-tetramethylbenzaldehyde.

Molecular Properties

Compound Name2-ethyl-3,4,5,6-tetramethylbenzaldehyde
PubChem CID71410306
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-ethyl-3,4,5,6-tetramethylbenzaldehyde
SMILESCCc1c(C)c(C)c(C)c(C)c1C=O
InChIInChI=1S/C13H18O/c1-6-12-10(4)8(2)9(3)11(5)13(12)7-14/h7H,6H2,1-5H3
InChIKeyKBNHZJLHQQCOAW-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.30
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-ethyl-3,4,5,6-tetramethylbenzaldehyde?
The IUPAC name of 2-ethyl-3,4,5,6-tetramethylbenzaldehyde (CID 71410306) is 2-ethyl-3,4,5,6-tetramethylbenzaldehyde.
What is the SMILES notation for 2-ethyl-3,4,5,6-tetramethylbenzaldehyde?
The canonical SMILES for 2-ethyl-3,4,5,6-tetramethylbenzaldehyde is CCc1c(C)c(C)c(C)c(C)c1C=O.
What is the InChIKey of 2-ethyl-3,4,5,6-tetramethylbenzaldehyde?
The InChIKey is KBNHZJLHQQCOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-6-12-10(4)8(2)9(3)11(5)13(12)7-14/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,4,5,6-tetramethylbenzaldehyde?
2-ethyl-3,4,5,6-tetramethylbenzaldehyde has a molecular weight of 190.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5,6-tetramethylbenzaldehyde is sourced from PubChem (CID 71410306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).