2-tridec-12-ynylfuran

C17H26O — CID 6857797

IUPAC2-tridec-12-ynylfuran
SMILESC#CCCCCCCCCCCCc1ccco1
InChIInChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h1,13,15-16H,3-12,14H2
InChIKeyONYOTXAYIZRIPJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.36
Rot. Bonds11

About 2-tridec-12-ynylfuran

2-tridec-12-ynylfuran (PubChem CID 6857797) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-tridec-12-ynylfuran.

Molecular Properties

Compound Name2-tridec-12-ynylfuran
PubChem CID6857797
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-tridec-12-ynylfuran
SMILESC#CCCCCCCCCCCCc1ccco1
InChIInChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h1,13,15-16H,3-12,14H2
InChIKeyONYOTXAYIZRIPJ-UHFFFAOYSA-N
XLogP5.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tridec-12-ynylfuran?
The IUPAC name of 2-tridec-12-ynylfuran (CID 6857797) is 2-tridec-12-ynylfuran.
What is the SMILES notation for 2-tridec-12-ynylfuran?
The canonical SMILES for 2-tridec-12-ynylfuran is C#CCCCCCCCCCCCc1ccco1.
What is the InChIKey of 2-tridec-12-ynylfuran?
The InChIKey is ONYOTXAYIZRIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h1,13,15-16H,3-12,14H2.
What are the key properties of 2-tridec-12-ynylfuran?
2-tridec-12-ynylfuran has a molecular weight of 246.39 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridec-12-ynylfuran is sourced from PubChem (CID 6857797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).