(E)-non-4-en-2,6-diyne-1,8-diol

C9H10O2 — CID 130123356

IUPAC(E)-non-4-en-2,6-diyne-1,8-diol
SMILESCC(O)C#C/C=C/C#CCO
InChIInChI=1S/C9H10O2/c1-9(11)7-5-3-2-4-6-8-10/h2-3,9-11H,8H2,1H3/b3-2+
InChIKeyLLIDEKKNGHFVKM-NSCUHMNNSA-N
MW150.18 g/mol
LogP-0.08
Rot. Bonds

About (E)-non-4-en-2,6-diyne-1,8-diol

(E)-non-4-en-2,6-diyne-1,8-diol (PubChem CID 130123356) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-non-4-en-2,6-diyne-1,8-diol.

Molecular Properties

Compound Name(E)-non-4-en-2,6-diyne-1,8-diol
PubChem CID130123356
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(E)-non-4-en-2,6-diyne-1,8-diol
SMILESCC(O)C#C/C=C/C#CCO
InChIInChI=1S/C9H10O2/c1-9(11)7-5-3-2-4-6-8-10/h2-3,9-11H,8H2,1H3/b3-2+
InChIKeyLLIDEKKNGHFVKM-NSCUHMNNSA-N
XLogP-0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-4-en-2,6-diyne-1,8-diol?
The IUPAC name of (E)-non-4-en-2,6-diyne-1,8-diol (CID 130123356) is (E)-non-4-en-2,6-diyne-1,8-diol.
What is the SMILES notation for (E)-non-4-en-2,6-diyne-1,8-diol?
The canonical SMILES for (E)-non-4-en-2,6-diyne-1,8-diol is CC(O)C#C/C=C/C#CCO.
What is the InChIKey of (E)-non-4-en-2,6-diyne-1,8-diol?
The InChIKey is LLIDEKKNGHFVKM-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10O2/c1-9(11)7-5-3-2-4-6-8-10/h2-3,9-11H,8H2,1H3/b3-2+.
What are the key properties of (E)-non-4-en-2,6-diyne-1,8-diol?
(E)-non-4-en-2,6-diyne-1,8-diol has a molecular weight of 150.18 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-4-en-2,6-diyne-1,8-diol is sourced from PubChem (CID 130123356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).