2-(decoxymethyl)-5-ethenylfuran

C17H28O2 — CID 158934366

IUPAC2-(decoxymethyl)-5-ethenylfuran
SMILESC=Cc1ccc(COCCCCCCCCCC)o1
InChIInChI=1S/C17H28O2/c1-3-5-6-7-8-9-10-11-14-18-15-17-13-12-16(4-2)19-17/h4,12-13H,2-3,5-11,14-15H2,1H3
InChIKeyTWVWGNFHEKSXFL-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.58
Rot. Bonds12

About 2-(decoxymethyl)-5-ethenylfuran

2-(decoxymethyl)-5-ethenylfuran (PubChem CID 158934366) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(decoxymethyl)-5-ethenylfuran.

Molecular Properties

Compound Name2-(decoxymethyl)-5-ethenylfuran
PubChem CID158934366
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(decoxymethyl)-5-ethenylfuran
SMILESC=Cc1ccc(COCCCCCCCCCC)o1
InChIInChI=1S/C17H28O2/c1-3-5-6-7-8-9-10-11-14-18-15-17-13-12-16(4-2)19-17/h4,12-13H,2-3,5-11,14-15H2,1H3
InChIKeyTWVWGNFHEKSXFL-UHFFFAOYSA-N
XLogP5.58
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(decoxymethyl)-5-ethenylfuran?
The IUPAC name of 2-(decoxymethyl)-5-ethenylfuran (CID 158934366) is 2-(decoxymethyl)-5-ethenylfuran.
What is the SMILES notation for 2-(decoxymethyl)-5-ethenylfuran?
The canonical SMILES for 2-(decoxymethyl)-5-ethenylfuran is C=Cc1ccc(COCCCCCCCCCC)o1.
What is the InChIKey of 2-(decoxymethyl)-5-ethenylfuran?
The InChIKey is TWVWGNFHEKSXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-5-6-7-8-9-10-11-14-18-15-17-13-12-16(4-2)19-17/h4,12-13H,2-3,5-11,14-15H2,1H3.
What are the key properties of 2-(decoxymethyl)-5-ethenylfuran?
2-(decoxymethyl)-5-ethenylfuran has a molecular weight of 264.41 g/mol, XLogP of 5.58, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decoxymethyl)-5-ethenylfuran is sourced from PubChem (CID 158934366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).