8-hydroxy-6-oxononanal

C9H16O3 — CID 91579516

IUPAC8-hydroxy-6-oxononanal
SMILESCC(O)CC(=O)CCCCC=O
InChIInChI=1S/C9H16O3/c1-8(11)7-9(12)5-3-2-4-6-10/h6,8,11H,2-5,7H2,1H3
InChIKeyRCJLTELYNJRNPC-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.09
Rot. Bonds7

About 8-hydroxy-6-oxononanal

8-hydroxy-6-oxononanal (PubChem CID 91579516) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 8-hydroxy-6-oxononanal.

Molecular Properties

Compound Name8-hydroxy-6-oxononanal
PubChem CID91579516
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name8-hydroxy-6-oxononanal
SMILESCC(O)CC(=O)CCCCC=O
InChIInChI=1S/C9H16O3/c1-8(11)7-9(12)5-3-2-4-6-10/h6,8,11H,2-5,7H2,1H3
InChIKeyRCJLTELYNJRNPC-UHFFFAOYSA-N
XLogP1.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyundecan-4-one
CID 57218315
8-oxodecanal
CID 118225653
9-oxotetradecanal
CID 13272684
19-oxodocosanal
CID 54396259
12-hydroxytridecanal
CID 11961599
6,19-dioxononadecanoic acid
CID 174486192
12-oxododecanamide
CID 54019408
17-oxoheptadecanamide
CID 54112129
8-hydroxy-2-methylnonan-4-one
CID 57006312
N-methyl-18-oxooctadecanamide
CID 145081820
8-[hydroxy(12-oxononadecan-2-yl)amino]octanal
CID 142378829
(E)-7-methyl-9-oxoundec-5-enal
CID 134981620

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-oxononanal?
The IUPAC name of 8-hydroxy-6-oxononanal (CID 91579516) is 8-hydroxy-6-oxononanal.
What is the SMILES notation for 8-hydroxy-6-oxononanal?
The canonical SMILES for 8-hydroxy-6-oxononanal is CC(O)CC(=O)CCCCC=O.
What is the InChIKey of 8-hydroxy-6-oxononanal?
The InChIKey is RCJLTELYNJRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(11)7-9(12)5-3-2-4-6-10/h6,8,11H,2-5,7H2,1H3.
What are the key properties of 8-hydroxy-6-oxononanal?
8-hydroxy-6-oxononanal has a molecular weight of 172.22 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-oxononanal is sourced from PubChem (CID 91579516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).