oct-7-ene-1,5-diol

C8H16O2 — CID 10942564

IUPACoct-7-ene-1,5-diol
SMILESC=CCC(O)CCCCO
InChIInChI=1S/C8H16O2/c1-2-5-8(10)6-3-4-7-9/h2,8-10H,1,3-7H2
InChIKeyZHZUUUXZIMHEKC-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds6

About oct-7-ene-1,5-diol

oct-7-ene-1,5-diol (PubChem CID 10942564) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is oct-7-ene-1,5-diol.

Molecular Properties

Compound Nameoct-7-ene-1,5-diol
PubChem CID10942564
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameoct-7-ene-1,5-diol
SMILESC=CCC(O)CCCCO
InChIInChI=1S/C8H16O2/c1-2-5-8(10)6-3-4-7-9/h2,8-10H,1,3-7H2
InChIKeyZHZUUUXZIMHEKC-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oct-7-ene-1,5-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 oct-7-ene-1,5-diol?
The IUPAC name of oct-7-ene-1,5-diol (CID 10942564) is oct-7-ene-1,5-diol.
What is the SMILES notation for oct-7-ene-1,5-diol?
The canonical SMILES for oct-7-ene-1,5-diol is C=CCC(O)CCCCO.
What is the InChIKey of oct-7-ene-1,5-diol?
The InChIKey is ZHZUUUXZIMHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-5-8(10)6-3-4-7-9/h2,8-10H,1,3-7H2.
What are the key properties of oct-7-ene-1,5-diol?
oct-7-ene-1,5-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-ene-1,5-diol is sourced from PubChem (CID 10942564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).