1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol

C24H42O3 — CID 54100850

IUPAC1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
SMILESCCCCCC(O)C=CC1(CCCCCCOC2CCCCO2)CC=CC1
InChIInChI=1S/C24H42O3/c1-2-3-6-13-22(25)15-19-24(17-9-10-18-24)16-8-4-5-11-20-26-23-14-7-12-21-27-23/h9-10,15,19,22-23,25H,2-8,11-14,16-18,20-21H2,1H3
InChIKeyNAJZHOYNDODFKU-UHFFFAOYSA-N
MW378.60 g/mol
LogP6.31
Rot. Bonds14

About 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol

1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol (PubChem CID 54100850) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol.

Molecular Properties

Compound Name1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
PubChem CID54100850
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol
SMILESCCCCCC(O)C=CC1(CCCCCCOC2CCCCO2)CC=CC1
InChIInChI=1S/C24H42O3/c1-2-3-6-13-22(25)15-19-24(17-9-10-18-24)16-8-4-5-11-20-26-23-14-7-12-21-27-23/h9-10,15,19,22-23,25H,2-8,11-14,16-18,20-21H2,1H3
InChIKeyNAJZHOYNDODFKU-UHFFFAOYSA-N
XLogP6.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.31
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'}

Analyze 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-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 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
The IUPAC name of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol (CID 54100850) is 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol.
What is the SMILES notation for 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
The canonical SMILES for 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol is CCCCCC(O)C=CC1(CCCCCCOC2CCCCO2)CC=CC1.
What is the InChIKey of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
The InChIKey is NAJZHOYNDODFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-2-3-6-13-22(25)15-19-24(17-9-10-18-24)16-8-4-5-11-20-26-23-14-7-12-21-27-23/h9-10,15,19,22-23,25H,2-8,11-14,16-18,20-21H2,1H3.
What are the key properties of 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol?
1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol has a molecular weight of 378.60 g/mol, XLogP of 6.31, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-ol is sourced from PubChem (CID 54100850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).