2,6-dimethylbenzaldehyde

C18H20O2 — CID 159545887

IUPAC2,6-dimethylbenzaldehyde
SMILESCc1cccc(C)c1C=O.Cc1cccc(C)c1C=O
InChIInChI=1S/2C9H10O/c2*1-7-4-3-5-8(2)9(7)6-10/h2*3-6H,1-2H3
InChIKeyMEUGWMBJPRVQJP-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.23
Rot. Bonds2

About 2,6-dimethylbenzaldehyde

2,6-dimethylbenzaldehyde (PubChem CID 159545887) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name2,6-dimethylbenzaldehyde
PubChem CID159545887
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,6-dimethylbenzaldehyde
SMILESCc1cccc(C)c1C=O.Cc1cccc(C)c1C=O
InChIInChI=1S/2C9H10O/c2*1-7-4-3-5-8(2)9(7)6-10/h2*3-6H,1-2H3
InChIKeyMEUGWMBJPRVQJP-UHFFFAOYSA-N
XLogP4.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methylbenzaldehyde
CID 23046538
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
2-[(E)-but-2-en-2-yl]-6-methylbenzaldehyde
CID 142437839
2-ethyl-6-methylbenzaldehyde;1,4-xylene
CID 143282659
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
2-methyl-6-(2-oxopropyl)benzaldehyde
CID 130792355
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
2-[3-(2-formyl-3-methylphenoxy)-2,2-bis[(2-formyl-3-methylphenoxy)methyl]propoxy]-6-methylbenzaldehyde
CID 102134444
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 102493581
2-[ethyl(propyl)amino]-6-methylbenzaldehyde
CID 142972786
2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
CID 102315083

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylbenzaldehyde?
The IUPAC name of 2,6-dimethylbenzaldehyde (CID 159545887) is 2,6-dimethylbenzaldehyde.
What is the SMILES notation for 2,6-dimethylbenzaldehyde?
The canonical SMILES for 2,6-dimethylbenzaldehyde is Cc1cccc(C)c1C=O.Cc1cccc(C)c1C=O.
What is the InChIKey of 2,6-dimethylbenzaldehyde?
The InChIKey is MEUGWMBJPRVQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O/c2*1-7-4-3-5-8(2)9(7)6-10/h2*3-6H,1-2H3.
What are the key properties of 2,6-dimethylbenzaldehyde?
2,6-dimethylbenzaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylbenzaldehyde is sourced from PubChem (CID 159545887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).