8-imidazol-1-yloct-5-en-1-ol

C11H18N2O — CID 70536279

IUPAC8-imidazol-1-yloct-5-en-1-ol
SMILESOCCCCC=CCCn1ccnc1
InChIInChI=1S/C11H18N2O/c14-10-6-4-2-1-3-5-8-13-9-7-12-11-13/h1,3,7,9,11,14H,2,4-6,8,10H2
InChIKeyDCEWMZLZYHFWJM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds7

About 8-imidazol-1-yloct-5-en-1-ol

8-imidazol-1-yloct-5-en-1-ol (PubChem CID 70536279) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 8-imidazol-1-yloct-5-en-1-ol.

Molecular Properties

Compound Name8-imidazol-1-yloct-5-en-1-ol
PubChem CID70536279
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name8-imidazol-1-yloct-5-en-1-ol
SMILESOCCCCC=CCCn1ccnc1
InChIInChI=1S/C11H18N2O/c14-10-6-4-2-1-3-5-8-13-9-7-12-11-13/h1,3,7,9,11,14H,2,4-6,8,10H2
InChIKeyDCEWMZLZYHFWJM-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yloct-5-en-1-ol?
The IUPAC name of 8-imidazol-1-yloct-5-en-1-ol (CID 70536279) is 8-imidazol-1-yloct-5-en-1-ol.
What is the SMILES notation for 8-imidazol-1-yloct-5-en-1-ol?
The canonical SMILES for 8-imidazol-1-yloct-5-en-1-ol is OCCCCC=CCCn1ccnc1.
What is the InChIKey of 8-imidazol-1-yloct-5-en-1-ol?
The InChIKey is DCEWMZLZYHFWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-10-6-4-2-1-3-5-8-13-9-7-12-11-13/h1,3,7,9,11,14H,2,4-6,8,10H2.
What are the key properties of 8-imidazol-1-yloct-5-en-1-ol?
8-imidazol-1-yloct-5-en-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yloct-5-en-1-ol is sourced from PubChem (CID 70536279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).