4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde

C15H18O2 — CID 168738456

IUPAC4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(C=O)cc(C=O)c1C1CCCCC1
InChIInChI=1S/C15H18O2/c1-11-7-12(9-16)8-14(10-17)15(11)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyCEUWBZCZCVTMFR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.67
Rot. Bonds3

About 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde

4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde (PubChem CID 168738456) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde
PubChem CID168738456
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(C=O)cc(C=O)c1C1CCCCC1
InChIInChI=1S/C15H18O2/c1-11-7-12(9-16)8-14(10-17)15(11)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyCEUWBZCZCVTMFR-UHFFFAOYSA-N
XLogP3.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.67
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

(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
cyclohexanecarboxylic acid;4-hydroxy-3,5-dimethylbenzaldehyde
CID 160868308
5-cyclohexyl-3-methylfuran-2-carbaldehyde
CID 19430344
3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
2,3,4-tricyclopentylbenzaldehyde
CID 87124420
2-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965836
5-cyclohexyl-2-cyclopropylfuran-3-carbaldehyde
CID 165451234
4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
CID 171027705
5-cyclohexylpyridine-3-carbaldehyde
CID 82404419
5-bromo-2-cyclopropyl-4-methylbenzaldehyde
CID 90394913

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde (CID 168738456) is 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde is Cc1cc(C=O)cc(C=O)c1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is CEUWBZCZCVTMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-7-12(9-16)8-14(10-17)15(11)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde?
4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 168738456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).