4-ethylnona-4,5-dien-1-yn-3-ol

C11H16O — CID 134981936

IUPAC4-ethylnona-4,5-dien-1-yn-3-ol
SMILESC#CC(O)C(=C=CCCC)CC
InChIInChI=1S/C11H16O/c1-4-7-8-9-10(5-2)11(12)6-3/h3,8,11-12H,4-5,7H2,1-2H3
InChIKeyKASFJZPKDUAMRC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About 4-ethylnona-4,5-dien-1-yn-3-ol

4-ethylnona-4,5-dien-1-yn-3-ol (PubChem CID 134981936) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-ethylnona-4,5-dien-1-yn-3-ol.

Molecular Properties

Compound Name4-ethylnona-4,5-dien-1-yn-3-ol
PubChem CID134981936
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-ethylnona-4,5-dien-1-yn-3-ol
SMILESC#CC(O)C(=C=CCCC)CC
InChIInChI=1S/C11H16O/c1-4-7-8-9-10(5-2)11(12)6-3/h3,8,11-12H,4-5,7H2,1-2H3
InChIKeyKASFJZPKDUAMRC-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylhept-1-en-6-yn-3-ol
CID 13095279
2-Methyloct-1-en-6-yn-3-ol
CID 12653929
7,8-Dodecadien-5-yn-4-ol
CID 13028937
3-Ethylocta-3,4-dien-2-ol
CID 86182344
(5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol
CID 102295142
8-Methyl-8-nonen-5-yn-4-ol
CID 129754529
7-Methylocta-5,6-dien-1-yn-4-ol
CID 134884706
3,7-Dimethylocta-5,6-dien-1-yn-4-ol
CID 134897926
4-Ethylnona-1,4,5-trien-3-ol
CID 134981827
6-Methyldeca-4,5-dien-3-ol
CID 134995136
(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol
CID 135030931
1-Octyn-3-ol, 4-ethenylidene-, (3S)-
CID 11446440

Frequently Asked Questions

What is the IUPAC name of 4-ethylnona-4,5-dien-1-yn-3-ol?
The IUPAC name of 4-ethylnona-4,5-dien-1-yn-3-ol (CID 134981936) is 4-ethylnona-4,5-dien-1-yn-3-ol.
What is the SMILES notation for 4-ethylnona-4,5-dien-1-yn-3-ol?
The canonical SMILES for 4-ethylnona-4,5-dien-1-yn-3-ol is C#CC(O)C(=C=CCCC)CC.
What is the InChIKey of 4-ethylnona-4,5-dien-1-yn-3-ol?
The InChIKey is KASFJZPKDUAMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-7-8-9-10(5-2)11(12)6-3/h3,8,11-12H,4-5,7H2,1-2H3.
What are the key properties of 4-ethylnona-4,5-dien-1-yn-3-ol?
4-ethylnona-4,5-dien-1-yn-3-ol has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnona-4,5-dien-1-yn-3-ol is sourced from PubChem (CID 134981936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).