non-2-yne-1,9-diol

C9H16O2 — CID 10997284

IUPACnon-2-yne-1,9-diol
SMILESOCC#CCCCCCCO
InChIInChI=1S/C9H16O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-4,6,8-9H2
InChIKeyPTVCOFYYPPRDAZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds5

About non-2-yne-1,9-diol

non-2-yne-1,9-diol (PubChem CID 10997284) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is non-2-yne-1,9-diol.

Molecular Properties

Compound Namenon-2-yne-1,9-diol
PubChem CID10997284
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenon-2-yne-1,9-diol
SMILESOCC#CCCCCCCO
InChIInChI=1S/C9H16O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-4,6,8-9H2
InChIKeyPTVCOFYYPPRDAZ-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
undec-7-yn-1-ol
CID 10909966
nona-2,5-diyne-1,9-diol
CID 175119403
octadec-2-yn-1-ol
CID 2825194
heptadec-8-yn-1-ol
CID 10491053
non-6-yn-1-ol
CID 3017913
tetradec-5-yn-1-ol
CID 15730841
hexadec-2-yn-1-ol
CID 11010038
undec-5-yn-1-ol
CID 13113234
16-methylheptadec-9-yn-1-ol
CID 139685111
11-hydroxyundeca-2,9-diynal
CID 11789780
icosa-15,18-diyn-1-ol
CID 160765539

Frequently Asked Questions

What is the IUPAC name of non-2-yne-1,9-diol?
The IUPAC name of non-2-yne-1,9-diol (CID 10997284) is non-2-yne-1,9-diol.
What is the SMILES notation for non-2-yne-1,9-diol?
The canonical SMILES for non-2-yne-1,9-diol is OCC#CCCCCCCO.
What is the InChIKey of non-2-yne-1,9-diol?
The InChIKey is PTVCOFYYPPRDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-4,6,8-9H2.
What are the key properties of non-2-yne-1,9-diol?
non-2-yne-1,9-diol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-yne-1,9-diol is sourced from PubChem (CID 10997284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).