3-ethyloct-5-ene-3,4-diol

C10H20O2 — CID 54450171

IUPAC3-ethyloct-5-ene-3,4-diol
SMILESCCC=CC(O)C(O)(CC)CC
InChIInChI=1S/C10H20O2/c1-4-7-8-9(11)10(12,5-2)6-3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyFVCQUBVOXXBXDB-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds5

About 3-ethyloct-5-ene-3,4-diol

3-ethyloct-5-ene-3,4-diol (PubChem CID 54450171) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyloct-5-ene-3,4-diol.

Molecular Properties

Compound Name3-ethyloct-5-ene-3,4-diol
PubChem CID54450171
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-ethyloct-5-ene-3,4-diol
SMILESCCC=CC(O)C(O)(CC)CC
InChIInChI=1S/C10H20O2/c1-4-7-8-9(11)10(12,5-2)6-3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyFVCQUBVOXXBXDB-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyloct-5-ene-3,4-diol 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 3-ethyloct-5-ene-3,4-diol?
The IUPAC name of 3-ethyloct-5-ene-3,4-diol (CID 54450171) is 3-ethyloct-5-ene-3,4-diol.
What is the SMILES notation for 3-ethyloct-5-ene-3,4-diol?
The canonical SMILES for 3-ethyloct-5-ene-3,4-diol is CCC=CC(O)C(O)(CC)CC.
What is the InChIKey of 3-ethyloct-5-ene-3,4-diol?
The InChIKey is FVCQUBVOXXBXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-8-9(11)10(12,5-2)6-3/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 3-ethyloct-5-ene-3,4-diol?
3-ethyloct-5-ene-3,4-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloct-5-ene-3,4-diol is sourced from PubChem (CID 54450171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).