2-ethyl-5-methylbenzene-1,3-dicarbaldehyde

C11H12O2 — CID 14045532

IUPAC2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
SMILESCCc1c(C=O)cc(C)cc1C=O
InChIInChI=1S/C11H12O2/c1-3-11-9(6-12)4-8(2)5-10(11)7-13/h4-7H,3H2,1-2H3
InChIKeyLCRDYOVTIFCCBR-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.18
Rot. Bonds3

About 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde

2-ethyl-5-methylbenzene-1,3-dicarbaldehyde (PubChem CID 14045532) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
PubChem CID14045532
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
SMILESCCc1c(C=O)cc(C)cc1C=O
InChIInChI=1S/C11H12O2/c1-3-11-9(6-12)4-8(2)5-10(11)7-13/h4-7H,3H2,1-2H3
InChIKeyLCRDYOVTIFCCBR-UHFFFAOYSA-N
XLogP2.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.18
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-ethyl-5-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde (CID 14045532) is 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde is CCc1c(C=O)cc(C)cc1C=O.
What is the InChIKey of 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is LCRDYOVTIFCCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-11-9(6-12)4-8(2)5-10(11)7-13/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde?
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 176.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 14045532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).