2-ethyl-6-methylbenzaldehyde;1,4-xylene

C18H22O — CID 143282659

IUPAC2-ethyl-6-methylbenzaldehyde;1,4-xylene
SMILESCCc1cccc(C)c1C=O.Cc1ccc(C)cc1
InChIInChI=1S/C10H12O.C8H10/c1-3-9-6-4-5-8(2)10(9)7-11;1-7-3-5-8(2)6-4-7/h4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyYNEHYLKAEMGFLK-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.67
Rot. Bonds2

About 2-ethyl-6-methylbenzaldehyde;1,4-xylene

2-ethyl-6-methylbenzaldehyde;1,4-xylene (PubChem CID 143282659) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-ethyl-6-methylbenzaldehyde;1,4-xylene.

Molecular Properties

Compound Name2-ethyl-6-methylbenzaldehyde;1,4-xylene
PubChem CID143282659
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-6-methylbenzaldehyde;1,4-xylene
SMILESCCc1cccc(C)c1C=O.Cc1ccc(C)cc1
InChIInChI=1S/C10H12O.C8H10/c1-3-9-6-4-5-8(2)10(9)7-11;1-7-3-5-8(2)6-4-7/h4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyYNEHYLKAEMGFLK-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.67
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-6-methylbenzaldehyde;1,4-xylene?
The IUPAC name of 2-ethyl-6-methylbenzaldehyde;1,4-xylene (CID 143282659) is 2-ethyl-6-methylbenzaldehyde;1,4-xylene.
What is the SMILES notation for 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
The canonical SMILES for 2-ethyl-6-methylbenzaldehyde;1,4-xylene is CCc1cccc(C)c1C=O.Cc1ccc(C)cc1.
What is the InChIKey of 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
The InChIKey is YNEHYLKAEMGFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C8H10/c1-3-9-6-4-5-8(2)10(9)7-11;1-7-3-5-8(2)6-4-7/h4-7H,3H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
2-ethyl-6-methylbenzaldehyde;1,4-xylene has a molecular weight of 254.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylbenzaldehyde;1,4-xylene is sourced from PubChem (CID 143282659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).