3-ethyl-3-hydroxynon-1-en-4-one

C11H20O2 — CID 91012435

IUPAC3-ethyl-3-hydroxynon-1-en-4-one
SMILESC=CC(O)(CC)C(=O)CCCCC
InChIInChI=1S/C11H20O2/c1-4-7-8-9-10(12)11(13,5-2)6-3/h5,13H,2,4,6-9H2,1,3H3
InChIKeyLGPVLEZWLLANJX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds7

About 3-ethyl-3-hydroxynon-1-en-4-one

3-ethyl-3-hydroxynon-1-en-4-one (PubChem CID 91012435) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-3-hydroxynon-1-en-4-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxynon-1-en-4-one
PubChem CID91012435
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-3-hydroxynon-1-en-4-one
SMILESC=CC(O)(CC)C(=O)CCCCC
InChIInChI=1S/C11H20O2/c1-4-7-8-9-10(12)11(13,5-2)6-3/h5,13H,2,4,6-9H2,1,3H3
InChIKeyLGPVLEZWLLANJX-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Ethenyl-2-hydroxycyclohexan-1-one
CID 13397600
1-(1-Hydroxycyclohept-2-en-1-yl)nonan-1-one
CID 15413720
9-Ethenyl-9-hydroxytetradecan-7-one
CID 90778722
1-[(1R)-1-hydroxycyclohept-2-en-1-yl]nonan-1-one
CID 139248699
2,6-Dihydroxy-2,6-dimethyloct-7-EN-3-one
CID 71324057
6-Ethyl-6-hydroxyoct-7-en-3-one
CID 10678750
2-Ethenyl-2-hydroxycyclododecan-1-one
CID 86001279
trans-(2S,6R)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102011600
cis-(2R,6R)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102373491
3-Cyclohex-1-enyl-3-hydroxy-butan-2-one
CID 16126017
3-Ethyl-3-hydroxy-7-methylnon-1-en-5-one
CID 21079516
7-Ethenyl-7-hydroxydodecanal
CID 57148891

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxynon-1-en-4-one?
The IUPAC name of 3-ethyl-3-hydroxynon-1-en-4-one (CID 91012435) is 3-ethyl-3-hydroxynon-1-en-4-one.
What is the SMILES notation for 3-ethyl-3-hydroxynon-1-en-4-one?
The canonical SMILES for 3-ethyl-3-hydroxynon-1-en-4-one is C=CC(O)(CC)C(=O)CCCCC.
What is the InChIKey of 3-ethyl-3-hydroxynon-1-en-4-one?
The InChIKey is LGPVLEZWLLANJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-8-9-10(12)11(13,5-2)6-3/h5,13H,2,4,6-9H2,1,3H3.
What are the key properties of 3-ethyl-3-hydroxynon-1-en-4-one?
3-ethyl-3-hydroxynon-1-en-4-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 3-ethyl-3-hydroxynon-1-en-4-one is sourced from PubChem (CID 91012435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).