(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one

C10H14O3 — CID 24755984

IUPAC(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one
SMILESCCO/C=C/C#CC(=O)CCCO
InChIInChI=1S/C10H14O3/c1-2-13-9-4-3-6-10(12)7-5-8-11/h4,9,11H,2,5,7-8H2,1H3/b9-4+
InChIKeyXHQJKAUPYYMUPO-RUDMXATFSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds5

About (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one

(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one (PubChem CID 24755984) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one.

Molecular Properties

Compound Name(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one
PubChem CID24755984
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one
SMILESCCO/C=C/C#CC(=O)CCCO
InChIInChI=1S/C10H14O3/c1-2-13-9-4-3-6-10(12)7-5-8-11/h4,9,11H,2,5,7-8H2,1H3/b9-4+
InChIKeyXHQJKAUPYYMUPO-RUDMXATFSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one
CID 13067694
(E)-5-ethoxypent-4-en-1-ol
CID 18436659
[(Z)-4-ethoxybut-3-en-1-ynyl]-trimethylsilane
CID 11805157
N-ethoxy-4-hydroxybutanamide
CID 79191598
ethanol;3-ethoxyprop-2-enoic acid
CID 173210904
ethanol;3-ethoxyprop-2-enoic acid
CID 173050245
ethoxyethane;5-hydroxypentan-2-one
CID 22325863
ethyl 3,12-dihydroxydodec-2-enoate
CID 146242205
tert-butyl 8-hydroxy-4-oxooct-2-ynoate
CID 102411611
diethyl 2-[(E)-3-ethoxyprop-2-enyl]propanedioate
CID 13218045
cyano 3-ethoxyprop-2-enoate
CID 87984683
ethyl (E)-9-hydroxy-6-oxonon-2-enoate
CID 101401306

Frequently Asked Questions

What is the IUPAC name of (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one?
The IUPAC name of (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one (CID 24755984) is (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one.
What is the SMILES notation for (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one?
The canonical SMILES for (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one is CCO/C=C/C#CC(=O)CCCO.
What is the InChIKey of (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one?
The InChIKey is XHQJKAUPYYMUPO-RUDMXATFSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-13-9-4-3-6-10(12)7-5-8-11/h4,9,11H,2,5,7-8H2,1H3/b9-4+.
What are the key properties of (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one?
(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one is sourced from PubChem (CID 24755984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).