nona-5,7-diyn-4-ol

C9H12O — CID 13225481

IUPACnona-5,7-diyn-4-ol
SMILESCC#CC#CC(O)CCC
InChIInChI=1S/C9H12O/c1-3-5-6-8-9(10)7-4-2/h9-10H,4,7H2,1-2H3
InChIKeyWSFGIYLNYANONT-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.17
Rot. Bonds2

About nona-5,7-diyn-4-ol

nona-5,7-diyn-4-ol (PubChem CID 13225481) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is nona-5,7-diyn-4-ol.

Molecular Properties

Compound Namenona-5,7-diyn-4-ol
PubChem CID13225481
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namenona-5,7-diyn-4-ol
SMILESCC#CC#CC(O)CCC
InChIInChI=1S/C9H12O/c1-3-5-6-8-9(10)7-4-2/h9-10H,4,7H2,1-2H3
InChIKeyWSFGIYLNYANONT-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nona-5,7-diyn-4-ol?
The IUPAC name of nona-5,7-diyn-4-ol (CID 13225481) is nona-5,7-diyn-4-ol.
What is the SMILES notation for nona-5,7-diyn-4-ol?
The canonical SMILES for nona-5,7-diyn-4-ol is CC#CC#CC(O)CCC.
What is the InChIKey of nona-5,7-diyn-4-ol?
The InChIKey is WSFGIYLNYANONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-5-6-8-9(10)7-4-2/h9-10H,4,7H2,1-2H3.
What are the key properties of nona-5,7-diyn-4-ol?
nona-5,7-diyn-4-ol has a molecular weight of 136.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-5,7-diyn-4-ol is sourced from PubChem (CID 13225481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).