4-cycloheptylbenzaldehyde

C14H18O — CID 21484445

IUPAC4-cycloheptylbenzaldehyde
SMILESO=Cc1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C14H18O/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h7-11,13H,1-6H2
InChIKeyFQTKOAWLIILFCD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.94
Rot. Bonds2

About 4-cycloheptylbenzaldehyde

4-cycloheptylbenzaldehyde (PubChem CID 21484445) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-cycloheptylbenzaldehyde.

Molecular Properties

Compound Name4-cycloheptylbenzaldehyde
PubChem CID21484445
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-cycloheptylbenzaldehyde
SMILESO=Cc1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C14H18O/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h7-11,13H,1-6H2
InChIKeyFQTKOAWLIILFCD-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.94
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

4-cyclooctylbenzaldehyde
CID 12923818
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
CID 81431702
3-(4-cyclohexylphenyl)benzaldehyde
CID 63424597
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
4-pyrrolidin-3-ylbenzaldehyde
CID 84766958
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
(2Z)-2-[(4-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68642647
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylbenzaldehyde?
The IUPAC name of 4-cycloheptylbenzaldehyde (CID 21484445) is 4-cycloheptylbenzaldehyde.
What is the SMILES notation for 4-cycloheptylbenzaldehyde?
The canonical SMILES for 4-cycloheptylbenzaldehyde is O=Cc1ccc(C2CCCCCC2)cc1.
What is the InChIKey of 4-cycloheptylbenzaldehyde?
The InChIKey is FQTKOAWLIILFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h7-11,13H,1-6H2.
What are the key properties of 4-cycloheptylbenzaldehyde?
4-cycloheptylbenzaldehyde has a molecular weight of 202.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylbenzaldehyde is sourced from PubChem (CID 21484445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).