2,4,6-triethylbenzene-1,3-dicarbaldehyde

C14H18O2 — CID 14870631

IUPAC2,4,6-triethylbenzene-1,3-dicarbaldehyde
SMILESCCc1cc(CC)c(C=O)c(CC)c1C=O
InChIInChI=1S/C14H18O2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15/h7-9H,4-6H2,1-3H3
InChIKeyBUPRHSJHRDYCHJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds5

About 2,4,6-triethylbenzene-1,3-dicarbaldehyde

2,4,6-triethylbenzene-1,3-dicarbaldehyde (PubChem CID 14870631) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,4,6-triethylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2,4,6-triethylbenzene-1,3-dicarbaldehyde
PubChem CID14870631
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2,4,6-triethylbenzene-1,3-dicarbaldehyde
SMILESCCc1cc(CC)c(C=O)c(CC)c1C=O
InChIInChI=1S/C14H18O2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15/h7-9H,4-6H2,1-3H3
InChIKeyBUPRHSJHRDYCHJ-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
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 2,4,6-triethylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 2,4,6-triethylbenzene-1,3-dicarbaldehyde (CID 14870631) is 2,4,6-triethylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2,4,6-triethylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2,4,6-triethylbenzene-1,3-dicarbaldehyde is CCc1cc(CC)c(C=O)c(CC)c1C=O.
What is the InChIKey of 2,4,6-triethylbenzene-1,3-dicarbaldehyde?
The InChIKey is BUPRHSJHRDYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,4,6-triethylbenzene-1,3-dicarbaldehyde?
2,4,6-triethylbenzene-1,3-dicarbaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 14870631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).