9-hydroxynon-1-en-3-one

C9H16O2 — CID 56612479

IUPAC9-hydroxynon-1-en-3-one
SMILESC=CC(=O)CCCCCCO
InChIInChI=1S/C9H16O2/c1-2-9(11)7-5-3-4-6-8-10/h2,10H,1,3-8H2
InChIKeyOREQQFQBMIFAFG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds7

About 9-hydroxynon-1-en-3-one

9-hydroxynon-1-en-3-one (PubChem CID 56612479) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 9-hydroxynon-1-en-3-one.

Molecular Properties

Compound Name9-hydroxynon-1-en-3-one
PubChem CID56612479
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name9-hydroxynon-1-en-3-one
SMILESC=CC(=O)CCCCCCO
InChIInChI=1S/C9H16O2/c1-2-9(11)7-5-3-4-6-8-10/h2,10H,1,3-8H2
InChIKeyOREQQFQBMIFAFG-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxynon-1-en-3-one?
The IUPAC name of 9-hydroxynon-1-en-3-one (CID 56612479) is 9-hydroxynon-1-en-3-one.
What is the SMILES notation for 9-hydroxynon-1-en-3-one?
The canonical SMILES for 9-hydroxynon-1-en-3-one is C=CC(=O)CCCCCCO.
What is the InChIKey of 9-hydroxynon-1-en-3-one?
The InChIKey is OREQQFQBMIFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-9(11)7-5-3-4-6-8-10/h2,10H,1,3-8H2.
What are the key properties of 9-hydroxynon-1-en-3-one?
9-hydroxynon-1-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynon-1-en-3-one is sourced from PubChem (CID 56612479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).