4-cyclooctylbenzaldehyde

C15H20O — CID 12923818

IUPAC4-cyclooctylbenzaldehyde
SMILESO=Cc1ccc(C2CCCCCCC2)cc1
InChIInChI=1S/C15H20O/c16-12-13-8-10-15(11-9-13)14-6-4-2-1-3-5-7-14/h8-12,14H,1-7H2
InChIKeyFVHGAEYKDBJJIF-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.33
Rot. Bonds2

About 4-cyclooctylbenzaldehyde

4-cyclooctylbenzaldehyde (PubChem CID 12923818) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-cyclooctylbenzaldehyde.

Molecular Properties

Compound Name4-cyclooctylbenzaldehyde
PubChem CID12923818
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-cyclooctylbenzaldehyde
SMILESO=Cc1ccc(C2CCCCCCC2)cc1
InChIInChI=1S/C15H20O/c16-12-13-8-10-15(11-9-13)14-6-4-2-1-3-5-7-14/h8-12,14H,1-7H2
InChIKeyFVHGAEYKDBJJIF-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclooctylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cycloheptylbenzaldehyde
CID 21484445
1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
CID 81431702
3-(4-cyclohexylphenyl)benzaldehyde
CID 63424597
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68642647
4-(3-hydroxycyclopentyl)benzaldehyde
CID 115018169

Frequently Asked Questions

What is the IUPAC name of 4-cyclooctylbenzaldehyde?
The IUPAC name of 4-cyclooctylbenzaldehyde (CID 12923818) is 4-cyclooctylbenzaldehyde.
What is the SMILES notation for 4-cyclooctylbenzaldehyde?
The canonical SMILES for 4-cyclooctylbenzaldehyde is O=Cc1ccc(C2CCCCCCC2)cc1.
What is the InChIKey of 4-cyclooctylbenzaldehyde?
The InChIKey is FVHGAEYKDBJJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c16-12-13-8-10-15(11-9-13)14-6-4-2-1-3-5-7-14/h8-12,14H,1-7H2.
What are the key properties of 4-cyclooctylbenzaldehyde?
4-cyclooctylbenzaldehyde has a molecular weight of 216.32 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctylbenzaldehyde is sourced from PubChem (CID 12923818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).