(5R)-non-1-en-6-yn-5-ol

C9H14O — CID 11309547

IUPAC(5R)-non-1-en-6-yn-5-ol
SMILESC=CCC[C@@H](O)C#CCC
InChIInChI=1S/C9H14O/c1-3-5-7-9(10)8-6-4-2/h3,9-10H,1,4-5,7H2,2H3/t9-/m1/s1
InChIKeySKRRQTLPQUQYSL-SECBINFHSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds3

About (5R)-non-1-en-6-yn-5-ol

(5R)-non-1-en-6-yn-5-ol (PubChem CID 11309547) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (5R)-non-1-en-6-yn-5-ol.

Molecular Properties

Compound Name(5R)-non-1-en-6-yn-5-ol
PubChem CID11309547
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(5R)-non-1-en-6-yn-5-ol
SMILESC=CCC[C@@H](O)C#CCC
InChIInChI=1S/C9H14O/c1-3-5-7-9(10)8-6-4-2/h3,9-10H,1,4-5,7H2,2H3/t9-/m1/s1
InChIKeySKRRQTLPQUQYSL-SECBINFHSA-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'}

Analyze (5R)-non-1-en-6-yn-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-non-1-en-6-yn-5-ol?
The IUPAC name of (5R)-non-1-en-6-yn-5-ol (CID 11309547) is (5R)-non-1-en-6-yn-5-ol.
What is the SMILES notation for (5R)-non-1-en-6-yn-5-ol?
The canonical SMILES for (5R)-non-1-en-6-yn-5-ol is C=CCC[C@@H](O)C#CCC.
What is the InChIKey of (5R)-non-1-en-6-yn-5-ol?
The InChIKey is SKRRQTLPQUQYSL-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O/c1-3-5-7-9(10)8-6-4-2/h3,9-10H,1,4-5,7H2,2H3/t9-/m1/s1.
What are the key properties of (5R)-non-1-en-6-yn-5-ol?
(5R)-non-1-en-6-yn-5-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 (5R)-non-1-en-6-yn-5-ol is sourced from PubChem (CID 11309547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).