7-ethylnon-8-en-5-yn-1-ol

C11H18O — CID 121216513

IUPAC7-ethylnon-8-en-5-yn-1-ol
SMILESC=CC(C#CCCCCO)CC
InChIInChI=1S/C11H18O/c1-3-11(4-2)9-7-5-6-8-10-12/h3,11-12H,1,4-6,8,10H2,2H3
InChIKeyIJGYDZQZOXHODJ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds5

About 7-ethylnon-8-en-5-yn-1-ol

7-ethylnon-8-en-5-yn-1-ol (PubChem CID 121216513) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-ethylnon-8-en-5-yn-1-ol.

Molecular Properties

Compound Name7-ethylnon-8-en-5-yn-1-ol
PubChem CID121216513
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-ethylnon-8-en-5-yn-1-ol
SMILESC=CC(C#CCCCCO)CC
InChIInChI=1S/C11H18O/c1-3-11(4-2)9-7-5-6-8-10-12/h3,11-12H,1,4-6,8,10H2,2H3
InChIKeyIJGYDZQZOXHODJ-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-methyltridec-12-en-9-yn-1-ol
CID 71375174
6-ethenyltetradec-7-yne-1,5-diol
CID 71379608
undec-5-yn-1-ol
CID 13113234
undec-7-yn-1-ol
CID 10909966
non-6-yn-1-ol
CID 3017913
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
pentadeca-5,10-diyn-1-ol
CID 560933
hexadeca-9,11-diyn-1-ol
CID 24975633
butan-1-ol;ethenol
CID 174734131
1-cyclopropylhept-2-yne-1,7-diol
CID 134845637
16-methylheptadec-9-yn-1-ol
CID 139685111

Frequently Asked Questions

What is the IUPAC name of 7-ethylnon-8-en-5-yn-1-ol?
The IUPAC name of 7-ethylnon-8-en-5-yn-1-ol (CID 121216513) is 7-ethylnon-8-en-5-yn-1-ol.
What is the SMILES notation for 7-ethylnon-8-en-5-yn-1-ol?
The canonical SMILES for 7-ethylnon-8-en-5-yn-1-ol is C=CC(C#CCCCCO)CC.
What is the InChIKey of 7-ethylnon-8-en-5-yn-1-ol?
The InChIKey is IJGYDZQZOXHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-11(4-2)9-7-5-6-8-10-12/h3,11-12H,1,4-6,8,10H2,2H3.
What are the key properties of 7-ethylnon-8-en-5-yn-1-ol?
7-ethylnon-8-en-5-yn-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylnon-8-en-5-yn-1-ol is sourced from PubChem (CID 121216513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).