4-oxoocta-6,7-dienal

C8H10O2 — CID 134864189

IUPAC4-oxoocta-6,7-dienal
SMILESC=C=CCC(=O)CCC=O
InChIInChI=1S/C8H10O2/c1-2-3-5-8(10)6-4-7-9/h3,7H,1,4-6H2
InChIKeySUCSAJKOLWIWFU-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.27
Rot. Bonds5

About 4-oxoocta-6,7-dienal

4-oxoocta-6,7-dienal (PubChem CID 134864189) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-oxoocta-6,7-dienal.

Molecular Properties

Compound Name4-oxoocta-6,7-dienal
PubChem CID134864189
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-oxoocta-6,7-dienal
SMILESC=C=CCC(=O)CCC=O
InChIInChI=1S/C8H10O2/c1-2-3-5-8(10)6-4-7-9/h3,7H,1,4-6H2
InChIKeySUCSAJKOLWIWFU-UHFFFAOYSA-N
XLogP1.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.27
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 4-oxoocta-6,7-dienal?
The IUPAC name of 4-oxoocta-6,7-dienal (CID 134864189) is 4-oxoocta-6,7-dienal.
What is the SMILES notation for 4-oxoocta-6,7-dienal?
The canonical SMILES for 4-oxoocta-6,7-dienal is C=C=CCC(=O)CCC=O.
What is the InChIKey of 4-oxoocta-6,7-dienal?
The InChIKey is SUCSAJKOLWIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-5-8(10)6-4-7-9/h3,7H,1,4-6H2.
What are the key properties of 4-oxoocta-6,7-dienal?
4-oxoocta-6,7-dienal has a molecular weight of 138.17 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoocta-6,7-dienal is sourced from PubChem (CID 134864189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).