(E)-oct-6-en-4-yn-3-ol

C8H12O — CID 134898173

IUPAC(E)-oct-6-en-4-yn-3-ol
SMILESC/C=C/C#CC(O)CC
InChIInChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h3,5,8-9H,4H2,1-2H3/b5-3+
InChIKeyFPXIEGJNULYFEW-HWKANZROSA-N
MW124.18 g/mol
LogP1.34
Rot. Bonds1

About (E)-oct-6-en-4-yn-3-ol

(E)-oct-6-en-4-yn-3-ol (PubChem CID 134898173) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (E)-oct-6-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-oct-6-en-4-yn-3-ol
PubChem CID134898173
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(E)-oct-6-en-4-yn-3-ol
SMILESC/C=C/C#CC(O)CC
InChIInChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h3,5,8-9H,4H2,1-2H3/b5-3+
InChIKeyFPXIEGJNULYFEW-HWKANZROSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-6-en-4-yn-3-ol?
The IUPAC name of (E)-oct-6-en-4-yn-3-ol (CID 134898173) is (E)-oct-6-en-4-yn-3-ol.
What is the SMILES notation for (E)-oct-6-en-4-yn-3-ol?
The canonical SMILES for (E)-oct-6-en-4-yn-3-ol is C/C=C/C#CC(O)CC.
What is the InChIKey of (E)-oct-6-en-4-yn-3-ol?
The InChIKey is FPXIEGJNULYFEW-HWKANZROSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h3,5,8-9H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-oct-6-en-4-yn-3-ol?
(E)-oct-6-en-4-yn-3-ol has a molecular weight of 124.18 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-6-en-4-yn-3-ol is sourced from PubChem (CID 134898173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).