(E)-non-5-en-2,7-diyne-1,4,9-triol

C9H10O3 — CID 15806321

IUPAC(E)-non-5-en-2,7-diyne-1,4,9-triol
SMILESOCC#C/C=C/C(O)C#CCO
InChIInChI=1S/C9H10O3/c10-7-3-1-2-5-9(12)6-4-8-11/h2,5,9-12H,7-8H2/b5-2+
InChIKeyXDCLRGINQGMGBH-GORDUTHDSA-N
MW166.18 g/mol
LogP-1.11
Rot. Bonds1

About (E)-non-5-en-2,7-diyne-1,4,9-triol

(E)-non-5-en-2,7-diyne-1,4,9-triol (PubChem CID 15806321) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (E)-non-5-en-2,7-diyne-1,4,9-triol.

Molecular Properties

Compound Name(E)-non-5-en-2,7-diyne-1,4,9-triol
PubChem CID15806321
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(E)-non-5-en-2,7-diyne-1,4,9-triol
SMILESOCC#C/C=C/C(O)C#CCO
InChIInChI=1S/C9H10O3/c10-7-3-1-2-5-9(12)6-4-8-11/h2,5,9-12H,7-8H2/b5-2+
InChIKeyXDCLRGINQGMGBH-GORDUTHDSA-N
XLogP-1.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (E)-non-5-en-2,7-diyne-1,4,9-triol?
The IUPAC name of (E)-non-5-en-2,7-diyne-1,4,9-triol (CID 15806321) is (E)-non-5-en-2,7-diyne-1,4,9-triol.
What is the SMILES notation for (E)-non-5-en-2,7-diyne-1,4,9-triol?
The canonical SMILES for (E)-non-5-en-2,7-diyne-1,4,9-triol is OCC#C/C=C/C(O)C#CCO.
What is the InChIKey of (E)-non-5-en-2,7-diyne-1,4,9-triol?
The InChIKey is XDCLRGINQGMGBH-GORDUTHDSA-N. The full InChI is InChI=1S/C9H10O3/c10-7-3-1-2-5-9(12)6-4-8-11/h2,5,9-12H,7-8H2/b5-2+.
What are the key properties of (E)-non-5-en-2,7-diyne-1,4,9-triol?
(E)-non-5-en-2,7-diyne-1,4,9-triol has a molecular weight of 166.18 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-5-en-2,7-diyne-1,4,9-triol is sourced from PubChem (CID 15806321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).