tridec-1-en-4-ol

C13H26O — CID 10397999

IUPACtridec-1-en-4-ol
SMILESC=CCC(O)CCCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyLKYWDBFJCNTORH-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds10

About tridec-1-en-4-ol

tridec-1-en-4-ol (PubChem CID 10397999) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is tridec-1-en-4-ol.

Molecular Properties

Compound Nametridec-1-en-4-ol
PubChem CID10397999
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nametridec-1-en-4-ol
SMILESC=CCC(O)CCCCCCCCC
InChIInChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyLKYWDBFJCNTORH-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tridec-1-en-4-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 tridec-1-en-4-ol?
The IUPAC name of tridec-1-en-4-ol (CID 10397999) is tridec-1-en-4-ol.
What is the SMILES notation for tridec-1-en-4-ol?
The canonical SMILES for tridec-1-en-4-ol is C=CCC(O)CCCCCCCCC.
What is the InChIKey of tridec-1-en-4-ol?
The InChIKey is LKYWDBFJCNTORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,13-14H,2-3,5-12H2,1H3.
What are the key properties of tridec-1-en-4-ol?
tridec-1-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-1-en-4-ol is sourced from PubChem (CID 10397999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).