(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol

C10H16O — CID 131240571

IUPAC(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol
SMILESCC#C[C@H](O)C(/C=C/C)CC
InChIInChI=1S/C10H16O/c1-4-7-9(6-3)10(11)8-5-2/h4,7,9-11H,6H2,1-3H3/b7-4+/t9?,10-/m0/s1
InChIKeyOIECMXZLEYYXHO-NZTKMEORSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds3

About (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol

(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol (PubChem CID 131240571) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol.

Molecular Properties

Compound Name(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol
PubChem CID131240571
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol
SMILESCC#C[C@H](O)C(/C=C/C)CC
InChIInChI=1S/C10H16O/c1-4-7-9(6-3)10(11)8-5-2/h4,7,9-11H,6H2,1-3H3/b7-4+/t9?,10-/m0/s1
InChIKeyOIECMXZLEYYXHO-NZTKMEORSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol?
The IUPAC name of (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol (CID 131240571) is (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol.
What is the SMILES notation for (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol?
The canonical SMILES for (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol is CC#C[C@H](O)C(/C=C/C)CC.
What is the InChIKey of (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol?
The InChIKey is OIECMXZLEYYXHO-NZTKMEORSA-N. The full InChI is InChI=1S/C10H16O/c1-4-7-9(6-3)10(11)8-5-2/h4,7,9-11H,6H2,1-3H3/b7-4+/t9?,10-/m0/s1.
What are the key properties of (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol?
(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol is sourced from PubChem (CID 131240571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).