cyclooct-4-ene-1-carbaldehyde

C9H14O — CID 537409

IUPACcyclooct-4-ene-1-carbaldehyde
SMILESO=CC1CCC=CCCC1
InChIInChI=1S/C9H14O/c10-8-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2
InChIKeyMVQUNYFSOGSFLD-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds1

About cyclooct-4-ene-1-carbaldehyde

cyclooct-4-ene-1-carbaldehyde (PubChem CID 537409) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is cyclooct-4-ene-1-carbaldehyde.

Molecular Properties

Compound Namecyclooct-4-ene-1-carbaldehyde
PubChem CID537409
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namecyclooct-4-ene-1-carbaldehyde
SMILESO=CC1CCC=CCCC1
InChIInChI=1S/C9H14O/c10-8-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2
InChIKeyMVQUNYFSOGSFLD-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclooct-4-ene-1-carbaldehyde 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

cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclodecanecarbaldehyde
CID 13240747
benzene;cyclohexanecarbaldehyde
CID 174845063
cyclooctane-1,4-dicarbaldehyde
CID 19884381
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
CID 91654218
cyclohexane-1,3-dicarbaldehyde
CID 23496622
cyclobutanecarbaldehyde;ethane;N-methylmethanamine
CID 142148678
5-methoxycyclopentadecane-1-carbaldehyde
CID 130421288
5-hydroxycyclononane-1-carbaldehyde
CID 90716773
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
cyclohexanecarbaldehyde;fluoroform
CID 156741172

Frequently Asked Questions

What is the IUPAC name of cyclooct-4-ene-1-carbaldehyde?
The IUPAC name of cyclooct-4-ene-1-carbaldehyde (CID 537409) is cyclooct-4-ene-1-carbaldehyde.
What is the SMILES notation for cyclooct-4-ene-1-carbaldehyde?
The canonical SMILES for cyclooct-4-ene-1-carbaldehyde is O=CC1CCC=CCCC1.
What is the InChIKey of cyclooct-4-ene-1-carbaldehyde?
The InChIKey is MVQUNYFSOGSFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-8-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2.
What are the key properties of cyclooct-4-ene-1-carbaldehyde?
cyclooct-4-ene-1-carbaldehyde has a molecular weight of 138.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-4-ene-1-carbaldehyde is sourced from PubChem (CID 537409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).