7-ethyl-7-hydroxynon-1-en-5-one

C11H20O2 — CID 71391785

IUPAC7-ethyl-7-hydroxynon-1-en-5-one
SMILESC=CCCC(=O)CC(O)(CC)CC
InChIInChI=1S/C11H20O2/c1-4-7-8-10(12)9-11(13,5-2)6-3/h4,13H,1,5-9H2,2-3H3
InChIKeyHYOPGHYEHMAOQG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds7

About 7-ethyl-7-hydroxynon-1-en-5-one

7-ethyl-7-hydroxynon-1-en-5-one (PubChem CID 71391785) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-ethyl-7-hydroxynon-1-en-5-one.

Molecular Properties

Compound Name7-ethyl-7-hydroxynon-1-en-5-one
PubChem CID71391785
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-ethyl-7-hydroxynon-1-en-5-one
SMILESC=CCCC(=O)CC(O)(CC)CC
InChIInChI=1S/C11H20O2/c1-4-7-8-10(12)9-11(13,5-2)6-3/h4,13H,1,5-9H2,2-3H3
InChIKeyHYOPGHYEHMAOQG-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-ethyl-7-hydroxynon-1-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-hydroxynon-1-en-5-one?
The IUPAC name of 7-ethyl-7-hydroxynon-1-en-5-one (CID 71391785) is 7-ethyl-7-hydroxynon-1-en-5-one.
What is the SMILES notation for 7-ethyl-7-hydroxynon-1-en-5-one?
The canonical SMILES for 7-ethyl-7-hydroxynon-1-en-5-one is C=CCCC(=O)CC(O)(CC)CC.
What is the InChIKey of 7-ethyl-7-hydroxynon-1-en-5-one?
The InChIKey is HYOPGHYEHMAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-8-10(12)9-11(13,5-2)6-3/h4,13H,1,5-9H2,2-3H3.
What are the key properties of 7-ethyl-7-hydroxynon-1-en-5-one?
7-ethyl-7-hydroxynon-1-en-5-one has a molecular weight of 184.28 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-hydroxynon-1-en-5-one is sourced from PubChem (CID 71391785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).