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

C8H8O2 — CID 10510905

IUPAC(E)-oct-4-en-2,6-diyne-1,8-diol
SMILESOCC#C/C=C/C#CCO
InChIInChI=1S/C8H8O2/c9-7-5-3-1-2-4-6-8-10/h1-2,9-10H,7-8H2/b2-1+
InChIKeyABHHGTXHTSZPPC-OWOJBTEDSA-N
MW136.15 g/mol
LogP-0.47
Rot. Bonds

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

(E)-oct-4-en-2,6-diyne-1,8-diol (PubChem CID 10510905) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (E)-oct-4-en-2,6-diyne-1,8-diol.

Molecular Properties

Compound Name(E)-oct-4-en-2,6-diyne-1,8-diol
PubChem CID10510905
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(E)-oct-4-en-2,6-diyne-1,8-diol
SMILESOCC#C/C=C/C#CCO
InChIInChI=1S/C8H8O2/c9-7-5-3-1-2-4-6-8-10/h1-2,9-10H,7-8H2/b2-1+
InChIKeyABHHGTXHTSZPPC-OWOJBTEDSA-N
XLogP-0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.47
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)-oct-4-en-2,6-diyne-1,8-diol?
The IUPAC name of (E)-oct-4-en-2,6-diyne-1,8-diol (CID 10510905) is (E)-oct-4-en-2,6-diyne-1,8-diol.
What is the SMILES notation for (E)-oct-4-en-2,6-diyne-1,8-diol?
The canonical SMILES for (E)-oct-4-en-2,6-diyne-1,8-diol is OCC#C/C=C/C#CCO.
What is the InChIKey of (E)-oct-4-en-2,6-diyne-1,8-diol?
The InChIKey is ABHHGTXHTSZPPC-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-5-3-1-2-4-6-8-10/h1-2,9-10H,7-8H2/b2-1+.
What are the key properties of (E)-oct-4-en-2,6-diyne-1,8-diol?
(E)-oct-4-en-2,6-diyne-1,8-diol has a molecular weight of 136.15 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-4-en-2,6-diyne-1,8-diol is sourced from PubChem (CID 10510905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).