(Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol

C18H20O4 — CID 171369117

IUPAC(Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol
SMILESC[C@@H](O)C#C/C=C\C#CCO.C[C@H](O)C#C/C=C\C#CCO
InChIInChI=1S/2C9H10O2/c2*1-9(11)7-5-3-2-4-6-8-10/h2*2-3,9-11H,8H2,1H3/b2*3-2-/t2*9-/m10/s1
InChIKeyODVVJSZZMNKMHU-KKVXUREESA-N
MW300.35 g/mol
LogP-0.16
Rot. Bonds

About (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol

(Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol (PubChem CID 171369117) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol.

Molecular Properties

Compound Name(Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol
PubChem CID171369117
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol
SMILESC[C@@H](O)C#C/C=C\C#CCO.C[C@H](O)C#C/C=C\C#CCO
InChIInChI=1S/2C9H10O2/c2*1-9(11)7-5-3-2-4-6-8-10/h2*2-3,9-11H,8H2,1H3/b2*3-2-/t2*9-/m10/s1
InChIKeyODVVJSZZMNKMHU-KKVXUREESA-N
XLogP-0.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol?
The IUPAC name of (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol (CID 171369117) is (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol.
What is the SMILES notation for (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol?
The canonical SMILES for (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol is C[C@@H](O)C#C/C=C\C#CCO.C[C@H](O)C#C/C=C\C#CCO.
What is the InChIKey of (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol?
The InChIKey is ODVVJSZZMNKMHU-KKVXUREESA-N. The full InChI is InChI=1S/2C9H10O2/c2*1-9(11)7-5-3-2-4-6-8-10/h2*2-3,9-11H,8H2,1H3/b2*3-2-/t2*9-/m10/s1.
What are the key properties of (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol?
(Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol has a molecular weight of 300.35 g/mol, XLogP of -0.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8R)-non-4-en-2,6-diyne-1,8-diol;(Z,8S)-non-4-en-2,6-diyne-1,8-diol is sourced from PubChem (CID 171369117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).