7-oxocyclooctene-1-carbaldehyde

C9H12O2 — CID 173284056

IUPAC7-oxocyclooctene-1-carbaldehyde
SMILESO=CC1=CCCCCC(=O)C1
InChIInChI=1S/C9H12O2/c10-7-8-4-2-1-3-5-9(11)6-8/h4,7H,1-3,5-6H2
InChIKeyYMFMRJWSYSAYCC-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.64
Rot. Bonds1

About 7-oxocyclooctene-1-carbaldehyde

7-oxocyclooctene-1-carbaldehyde (PubChem CID 173284056) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 7-oxocyclooctene-1-carbaldehyde.

Molecular Properties

Compound Name7-oxocyclooctene-1-carbaldehyde
PubChem CID173284056
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name7-oxocyclooctene-1-carbaldehyde
SMILESO=CC1=CCCCCC(=O)C1
InChIInChI=1S/C9H12O2/c10-7-8-4-2-1-3-5-9(11)6-8/h4,7H,1-3,5-6H2
InChIKeyYMFMRJWSYSAYCC-UHFFFAOYSA-N
XLogP1.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxocyclooctene-1-carbaldehyde?
The IUPAC name of 7-oxocyclooctene-1-carbaldehyde (CID 173284056) is 7-oxocyclooctene-1-carbaldehyde.
What is the SMILES notation for 7-oxocyclooctene-1-carbaldehyde?
The canonical SMILES for 7-oxocyclooctene-1-carbaldehyde is O=CC1=CCCCCC(=O)C1.
What is the InChIKey of 7-oxocyclooctene-1-carbaldehyde?
The InChIKey is YMFMRJWSYSAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-7-8-4-2-1-3-5-9(11)6-8/h4,7H,1-3,5-6H2.
What are the key properties of 7-oxocyclooctene-1-carbaldehyde?
7-oxocyclooctene-1-carbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxocyclooctene-1-carbaldehyde is sourced from PubChem (CID 173284056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).