2-cyclopropyl-6-ethyl-4-methylbenzaldehyde

C13H16O — CID 87214087

IUPAC2-cyclopropyl-6-ethyl-4-methylbenzaldehyde
SMILESCCc1cc(C)cc(C2CC2)c1C=O
InChIInChI=1S/C13H16O/c1-3-10-6-9(2)7-12(11-4-5-11)13(10)8-14/h6-8,11H,3-5H2,1-2H3
InChIKeyGYYROFPEPIVWGO-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.25
Rot. Bonds3

About 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde

2-cyclopropyl-6-ethyl-4-methylbenzaldehyde (PubChem CID 87214087) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6-ethyl-4-methylbenzaldehyde
PubChem CID87214087
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-cyclopropyl-6-ethyl-4-methylbenzaldehyde
SMILESCCc1cc(C)cc(C2CC2)c1C=O
InChIInChI=1S/C13H16O/c1-3-10-6-9(2)7-12(11-4-5-11)13(10)8-14/h6-8,11H,3-5H2,1-2H3
InChIKeyGYYROFPEPIVWGO-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.25
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-cyclopropyl-6-ethyl-4-methylbenzaldehyde?
The IUPAC name of 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde (CID 87214087) is 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde.
What is the SMILES notation for 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde?
The canonical SMILES for 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde is CCc1cc(C)cc(C2CC2)c1C=O.
What is the InChIKey of 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde?
The InChIKey is GYYROFPEPIVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-10-6-9(2)7-12(11-4-5-11)13(10)8-14/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde?
2-cyclopropyl-6-ethyl-4-methylbenzaldehyde has a molecular weight of 188.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethyl-4-methylbenzaldehyde is sourced from PubChem (CID 87214087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).