(4E)-5-benzylcyclooct-4-en-1-ol

C15H20O — CID 22319857

IUPAC(4E)-5-benzylcyclooct-4-en-1-ol
SMILESOC1CC/C=C(/Cc2ccccc2)CCC1
InChIInChI=1S/C15H20O/c16-15-10-4-8-14(9-5-11-15)12-13-6-2-1-3-7-13/h1-3,6-8,15-16H,4-5,9-12H2/b14-8+
InChIKeyQJOHQVXPCKIUIS-RIYZIHGNSA-N
MW216.32 g/mol
LogP3.48
Rot. Bonds2

About (4E)-5-benzylcyclooct-4-en-1-ol

(4E)-5-benzylcyclooct-4-en-1-ol (PubChem CID 22319857) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (4E)-5-benzylcyclooct-4-en-1-ol.

Molecular Properties

Compound Name(4E)-5-benzylcyclooct-4-en-1-ol
PubChem CID22319857
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(4E)-5-benzylcyclooct-4-en-1-ol
SMILESOC1CC/C=C(/Cc2ccccc2)CCC1
InChIInChI=1S/C15H20O/c16-15-10-4-8-14(9-5-11-15)12-13-6-2-1-3-7-13/h1-3,6-8,15-16H,4-5,9-12H2/b14-8+
InChIKeyQJOHQVXPCKIUIS-RIYZIHGNSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-5-benzylcyclooct-4-en-1-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 (4E)-5-benzylcyclooct-4-en-1-ol?
The IUPAC name of (4E)-5-benzylcyclooct-4-en-1-ol (CID 22319857) is (4E)-5-benzylcyclooct-4-en-1-ol.
What is the SMILES notation for (4E)-5-benzylcyclooct-4-en-1-ol?
The canonical SMILES for (4E)-5-benzylcyclooct-4-en-1-ol is OC1CC/C=C(/Cc2ccccc2)CCC1.
What is the InChIKey of (4E)-5-benzylcyclooct-4-en-1-ol?
The InChIKey is QJOHQVXPCKIUIS-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H20O/c16-15-10-4-8-14(9-5-11-15)12-13-6-2-1-3-7-13/h1-3,6-8,15-16H,4-5,9-12H2/b14-8+.
What are the key properties of (4E)-5-benzylcyclooct-4-en-1-ol?
(4E)-5-benzylcyclooct-4-en-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-benzylcyclooct-4-en-1-ol is sourced from PubChem (CID 22319857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).