2,5-dimethylbenzaldehyde;ethane

C11H16O — CID 142106726

IUPAC2,5-dimethylbenzaldehyde;ethane
SMILESCC.Cc1ccc(C)c(C=O)c1
InChIInChI=1S/C9H10O.C2H6/c1-7-3-4-8(2)9(5-7)6-10;1-2/h3-6H,1-2H3;1-2H3
InChIKeyIATVXCYGHHNXHA-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.14
Rot. Bonds1

About 2,5-dimethylbenzaldehyde;ethane

2,5-dimethylbenzaldehyde;ethane (PubChem CID 142106726) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,5-dimethylbenzaldehyde;ethane.

Molecular Properties

Compound Name2,5-dimethylbenzaldehyde;ethane
PubChem CID142106726
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,5-dimethylbenzaldehyde;ethane
SMILESCC.Cc1ccc(C)c(C=O)c1
InChIInChI=1S/C9H10O.C2H6/c1-7-3-4-8(2)9(5-7)6-10;1-2/h3-6H,1-2H3;1-2H3
InChIKeyIATVXCYGHHNXHA-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
(Z)-2-(2,5-dimethylphenyl)ethenethiol;ethane
CID 143503562
2-iodyl-4-methylbenzaldehyde
CID 172555476
1-(2,5-dimethylphenyl)-5-(4-methylphenyl)triazole-4-carbaldehyde
CID 82195826
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
CID 143927164
CID 143927164
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373
2-methanimidoyl-4-methylbenzaldehyde
CID 22447756
5-methyl-2-propylbenzaldehyde
CID 23586663
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
3-formyl-4-methylbenzoyl chloride
CID 162361859

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylbenzaldehyde;ethane?
The IUPAC name of 2,5-dimethylbenzaldehyde;ethane (CID 142106726) is 2,5-dimethylbenzaldehyde;ethane.
What is the SMILES notation for 2,5-dimethylbenzaldehyde;ethane?
The canonical SMILES for 2,5-dimethylbenzaldehyde;ethane is CC.Cc1ccc(C)c(C=O)c1.
What is the InChIKey of 2,5-dimethylbenzaldehyde;ethane?
The InChIKey is IATVXCYGHHNXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H6/c1-7-3-4-8(2)9(5-7)6-10;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethylbenzaldehyde;ethane?
2,5-dimethylbenzaldehyde;ethane has a molecular weight of 164.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylbenzaldehyde;ethane is sourced from PubChem (CID 142106726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).