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

C8H8O2 — CID 10844431

IUPAC(Z)-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-UPHRSURJSA-N
MW136.15 g/mol
LogP-0.47
Rot. Bonds

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

(Z)-oct-4-en-2,6-diyne-1,8-diol (PubChem CID 10844431) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (Z)-oct-4-en-2,6-diyne-1,8-diol.

Molecular Properties

Compound Name(Z)-oct-4-en-2,6-diyne-1,8-diol
PubChem CID10844431
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(Z)-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-UPHRSURJSA-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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Related Compounds

7-Octene-3,5-diyn-1-ol
CID 15503524
(2E,8E)-deca-2,8-dien-4,6-diyne-1,10-diol
CID 10057822
Deca-2,8-diene-4,6-diyne-1,10-diol
CID 71318082
(2Z,8Z)-deca-2,8-dien-4,6-diyne-1,10-diol
CID 44464201
Methylvinylethynylcarbinol
CID 53784322
(E)-hex-4-en-2-yn-1-ol
CID 10996965
(E)-oct-4-en-2,6-diyne-1,8-diol
CID 10510905
(4Z)-4-Hexen-2-yn-1-ol
CID 12567908
(5Z)-deca-5,9-dien-3,7-diyn-1-ol
CID 135013105
(6Z)-undeca-6,10-dien-4,8-diyn-1-ol
CID 135013593
(4Z)-nona-4,8-dien-2,6-diyn-1-ol
CID 135038076
(4Z,10Z)-tetradeca-4,10-dien-2,6,8,12-tetrayne-1,14-diol
CID 139256514

Frequently Asked Questions

What is the IUPAC name of (Z)-oct-4-en-2,6-diyne-1,8-diol?
The IUPAC name of (Z)-oct-4-en-2,6-diyne-1,8-diol (CID 10844431) is (Z)-oct-4-en-2,6-diyne-1,8-diol.
What is the SMILES notation for (Z)-oct-4-en-2,6-diyne-1,8-diol?
The canonical SMILES for (Z)-oct-4-en-2,6-diyne-1,8-diol is OCC#C/C=C\C#CCO.
What is the InChIKey of (Z)-oct-4-en-2,6-diyne-1,8-diol?
The InChIKey is ABHHGTXHTSZPPC-UPHRSURJSA-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 (Z)-oct-4-en-2,6-diyne-1,8-diol?
(Z)-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 (Z)-oct-4-en-2,6-diyne-1,8-diol is sourced from PubChem (CID 10844431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).