2-tridec-12-enylfuran

C17H28O — CID 6857792

IUPAC2-tridec-12-enylfuran
SMILESC=CCCCCCCCCCCCc1ccco1
InChIInChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2
InChIKeyKNKVJBRMGKXDGO-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.91
Rot. Bonds12

About 2-tridec-12-enylfuran

2-tridec-12-enylfuran (PubChem CID 6857792) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-tridec-12-enylfuran.

Molecular Properties

Compound Name2-tridec-12-enylfuran
PubChem CID6857792
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-tridec-12-enylfuran
SMILESC=CCCCCCCCCCCCc1ccco1
InChIInChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2
InChIKeyKNKVJBRMGKXDGO-UHFFFAOYSA-N
XLogP5.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tridec-12-enylfuran?
The IUPAC name of 2-tridec-12-enylfuran (CID 6857792) is 2-tridec-12-enylfuran.
What is the SMILES notation for 2-tridec-12-enylfuran?
The canonical SMILES for 2-tridec-12-enylfuran is C=CCCCCCCCCCCCc1ccco1.
What is the InChIKey of 2-tridec-12-enylfuran?
The InChIKey is KNKVJBRMGKXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2.
What are the key properties of 2-tridec-12-enylfuran?
2-tridec-12-enylfuran has a molecular weight of 248.41 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridec-12-enylfuran is sourced from PubChem (CID 6857792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).