undeca-1,5,8-trien-3-ol

C11H18O — CID 71360907

IUPACundeca-1,5,8-trien-3-ol
SMILESC=CC(O)CC=CCC=CCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h4-6,8-9,11-12H,2-3,7,10H2,1H3
InChIKeyPRGYPCCRPKULHH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.84
Rot. Bonds6

About undeca-1,5,8-trien-3-ol

undeca-1,5,8-trien-3-ol (PubChem CID 71360907) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is undeca-1,5,8-trien-3-ol.

Molecular Properties

Compound Nameundeca-1,5,8-trien-3-ol
PubChem CID71360907
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameundeca-1,5,8-trien-3-ol
SMILESC=CC(O)CC=CCC=CCC
InChIInChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h4-6,8-9,11-12H,2-3,7,10H2,1H3
InChIKeyPRGYPCCRPKULHH-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze undeca-1,5,8-trien-3-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 undeca-1,5,8-trien-3-ol?
The IUPAC name of undeca-1,5,8-trien-3-ol (CID 71360907) is undeca-1,5,8-trien-3-ol.
What is the SMILES notation for undeca-1,5,8-trien-3-ol?
The canonical SMILES for undeca-1,5,8-trien-3-ol is C=CC(O)CC=CCC=CCC.
What is the InChIKey of undeca-1,5,8-trien-3-ol?
The InChIKey is PRGYPCCRPKULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-5-6-7-8-9-10-11(12)4-2/h4-6,8-9,11-12H,2-3,7,10H2,1H3.
What are the key properties of undeca-1,5,8-trien-3-ol?
undeca-1,5,8-trien-3-ol has a molecular weight of 166.26 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,5,8-trien-3-ol is sourced from PubChem (CID 71360907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).