2-tridecyl-2,3-dihydrofuran

C17H32O — CID 14208181

IUPAC2-tridecyl-2,3-dihydrofuran
SMILESCCCCCCCCCCCCCC1CC=CO1
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h13,16-17H,2-12,14-15H2,1H3
InChIKeyUQHSYJSAILMYCL-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.99
Rot. Bonds12

About 2-tridecyl-2,3-dihydrofuran

2-tridecyl-2,3-dihydrofuran (PubChem CID 14208181) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 2-tridecyl-2,3-dihydrofuran.

Molecular Properties

Compound Name2-tridecyl-2,3-dihydrofuran
PubChem CID14208181
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name2-tridecyl-2,3-dihydrofuran
SMILESCCCCCCCCCCCCCC1CC=CO1
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h13,16-17H,2-12,14-15H2,1H3
InChIKeyUQHSYJSAILMYCL-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tridecyl-2,3-dihydrofuran 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 2-tridecyl-2,3-dihydrofuran?
The IUPAC name of 2-tridecyl-2,3-dihydrofuran (CID 14208181) is 2-tridecyl-2,3-dihydrofuran.
What is the SMILES notation for 2-tridecyl-2,3-dihydrofuran?
The canonical SMILES for 2-tridecyl-2,3-dihydrofuran is CCCCCCCCCCCCCC1CC=CO1.
What is the InChIKey of 2-tridecyl-2,3-dihydrofuran?
The InChIKey is UQHSYJSAILMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h13,16-17H,2-12,14-15H2,1H3.
What are the key properties of 2-tridecyl-2,3-dihydrofuran?
2-tridecyl-2,3-dihydrofuran has a molecular weight of 252.44 g/mol, XLogP of 5.99, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecyl-2,3-dihydrofuran is sourced from PubChem (CID 14208181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).