(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one

C10H14O3 — CID 13067694

IUPAC(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one
SMILESCO/C=C\C#CC(=O)CCCCO
InChIInChI=1S/C10H14O3/c1-13-9-5-3-7-10(12)6-2-4-8-11/h5,9,11H,2,4,6,8H2,1H3/b9-5-
InChIKeyUVQAMUXSSOUUMB-UITAMQMPSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds5

About (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one

(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one (PubChem CID 13067694) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one.

Molecular Properties

Compound Name(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one
PubChem CID13067694
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one
SMILESCO/C=C\C#CC(=O)CCCCO
InChIInChI=1S/C10H14O3/c1-13-9-5-3-7-10(12)6-2-4-8-11/h5,9,11H,2,4,6,8H2,1H3/b9-5-
InChIKeyUVQAMUXSSOUUMB-UITAMQMPSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-8-ethoxy-1-hydroxyoct-7-en-5-yn-4-one
CID 24755984
tert-butyl 8-hydroxy-4-oxooct-2-ynoate
CID 102411611
methyl 3,16-dihydroxyhexadec-2-enoate
CID 146242421
methyl 14-hydroxytetradecanoate
CID 13245690
12-hydroxydodec-1-yn-3-one
CID 100952274
7-methoxyhept-6-en-1-ol
CID 85279707
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
methyl 12-hydroxydodecanoate;methyl 12-oxododecanoate
CID 162225172
methoxymethane;octane-1,8-diol
CID 175193596
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
1,11-dihydroxyundecan-6-one
CID 14015246

Frequently Asked Questions

What is the IUPAC name of (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one?
The IUPAC name of (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one (CID 13067694) is (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one.
What is the SMILES notation for (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one?
The canonical SMILES for (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one is CO/C=C\C#CC(=O)CCCCO.
What is the InChIKey of (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one?
The InChIKey is UVQAMUXSSOUUMB-UITAMQMPSA-N. The full InChI is InChI=1S/C10H14O3/c1-13-9-5-3-7-10(12)6-2-4-8-11/h5,9,11H,2,4,6,8H2,1H3/b9-5-.
What are the key properties of (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one?
(Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-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 (Z)-9-hydroxy-1-methoxynon-1-en-3-yn-5-one is sourced from PubChem (CID 13067694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).