5-ethyl-4-hydroxyoct-1-en-3-one

C10H18O2 — CID 174727767

IUPAC5-ethyl-4-hydroxyoct-1-en-3-one
SMILESC=CC(=O)C(O)C(CC)CCC
InChIInChI=1S/C10H18O2/c1-4-7-8(5-2)10(12)9(11)6-3/h6,8,10,12H,3-5,7H2,1-2H3
InChIKeyWGZDKFHVLKSUHG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds6

About 5-ethyl-4-hydroxyoct-1-en-3-one

5-ethyl-4-hydroxyoct-1-en-3-one (PubChem CID 174727767) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-ethyl-4-hydroxyoct-1-en-3-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxyoct-1-en-3-one
PubChem CID174727767
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-ethyl-4-hydroxyoct-1-en-3-one
SMILESC=CC(=O)C(O)C(CC)CCC
InChIInChI=1S/C10H18O2/c1-4-7-8(5-2)10(12)9(11)6-3/h6,8,10,12H,3-5,7H2,1-2H3
InChIKeyWGZDKFHVLKSUHG-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxyoct-1-en-3-one?
The IUPAC name of 5-ethyl-4-hydroxyoct-1-en-3-one (CID 174727767) is 5-ethyl-4-hydroxyoct-1-en-3-one.
What is the SMILES notation for 5-ethyl-4-hydroxyoct-1-en-3-one?
The canonical SMILES for 5-ethyl-4-hydroxyoct-1-en-3-one is C=CC(=O)C(O)C(CC)CCC.
What is the InChIKey of 5-ethyl-4-hydroxyoct-1-en-3-one?
The InChIKey is WGZDKFHVLKSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-7-8(5-2)10(12)9(11)6-3/h6,8,10,12H,3-5,7H2,1-2H3.
What are the key properties of 5-ethyl-4-hydroxyoct-1-en-3-one?
5-ethyl-4-hydroxyoct-1-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxyoct-1-en-3-one is sourced from PubChem (CID 174727767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).