non-8-en-5-yn-4-ol

C9H14O — CID 11804829

IUPACnon-8-en-5-yn-4-ol
SMILESC=CCC#CC(O)CCC
InChIInChI=1S/C9H14O/c1-3-5-6-8-9(10)7-4-2/h3,9-10H,1,4-5,7H2,2H3
InChIKeyUXCGNXPBZWROFI-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds3

About non-8-en-5-yn-4-ol

non-8-en-5-yn-4-ol (PubChem CID 11804829) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is non-8-en-5-yn-4-ol.

Molecular Properties

Compound Namenon-8-en-5-yn-4-ol
PubChem CID11804829
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenon-8-en-5-yn-4-ol
SMILESC=CCC#CC(O)CCC
InChIInChI=1S/C9H14O/c1-3-5-6-8-9(10)7-4-2/h3,9-10H,1,4-5,7H2,2H3
InChIKeyUXCGNXPBZWROFI-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of non-8-en-5-yn-4-ol?
The IUPAC name of non-8-en-5-yn-4-ol (CID 11804829) is non-8-en-5-yn-4-ol.
What is the SMILES notation for non-8-en-5-yn-4-ol?
The canonical SMILES for non-8-en-5-yn-4-ol is C=CCC#CC(O)CCC.
What is the InChIKey of non-8-en-5-yn-4-ol?
The InChIKey is UXCGNXPBZWROFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-6-8-9(10)7-4-2/h3,9-10H,1,4-5,7H2,2H3.
What are the key properties of non-8-en-5-yn-4-ol?
non-8-en-5-yn-4-ol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-en-5-yn-4-ol is sourced from PubChem (CID 11804829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).