non-8-yn-2-ol

C9H16O — CID 11275050

IUPACnon-8-yn-2-ol
SMILESC#CCCCCCC(C)O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h1,9-10H,4-8H2,2H3
InChIKeyHKFIWDZVDWDWMZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds5

About non-8-yn-2-ol

non-8-yn-2-ol (PubChem CID 11275050) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is non-8-yn-2-ol.

Molecular Properties

Compound Namenon-8-yn-2-ol
PubChem CID11275050
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenon-8-yn-2-ol
SMILESC#CCCCCCC(C)O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h1,9-10H,4-8H2,2H3
InChIKeyHKFIWDZVDWDWMZ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze non-8-yn-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

dodec-11-yn-2-ol
CID 14044485
12-methyltridec-1-yne
CID 10921423
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
1-iodoundec-10-yn-1-ol
CID 87638257
N-methylnon-8-yn-2-amine
CID 91435283
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
19,19-dichlorononadec-1-yne
CID 88635184
docosan-2-ol
CID 14151025
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
octan-2-ol
CID 20083

Frequently Asked Questions

What is the IUPAC name of non-8-yn-2-ol?
The IUPAC name of non-8-yn-2-ol (CID 11275050) is non-8-yn-2-ol.
What is the SMILES notation for non-8-yn-2-ol?
The canonical SMILES for non-8-yn-2-ol is C#CCCCCCC(C)O.
What is the InChIKey of non-8-yn-2-ol?
The InChIKey is HKFIWDZVDWDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h1,9-10H,4-8H2,2H3.
What are the key properties of non-8-yn-2-ol?
non-8-yn-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-yn-2-ol is sourced from PubChem (CID 11275050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).