tridec-12-en-2-ol

C13H26O — CID 14825962

IUPACtridec-12-en-2-ol
SMILESC=CCCCCCCCCCC(C)O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3,13-14H,1,4-12H2,2H3
InChIKeyFXLCUSXGVHBSCJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds10

About tridec-12-en-2-ol

tridec-12-en-2-ol (PubChem CID 14825962) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is tridec-12-en-2-ol.

Molecular Properties

Compound Nametridec-12-en-2-ol
PubChem CID14825962
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nametridec-12-en-2-ol
SMILESC=CCCCCCCCCCC(C)O
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3,13-14H,1,4-12H2,2H3
InChIKeyFXLCUSXGVHBSCJ-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-12-en-2-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-12-en-2-ol?
The IUPAC name of tridec-12-en-2-ol (CID 14825962) is tridec-12-en-2-ol.
What is the SMILES notation for tridec-12-en-2-ol?
The canonical SMILES for tridec-12-en-2-ol is C=CCCCCCCCCCC(C)O.
What is the InChIKey of tridec-12-en-2-ol?
The InChIKey is FXLCUSXGVHBSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3,13-14H,1,4-12H2,2H3.
What are the key properties of tridec-12-en-2-ol?
tridec-12-en-2-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-12-en-2-ol is sourced from PubChem (CID 14825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).