1-(5-decoxyfuran-2-yl)ethanone

C16H26O3 — CID 22152433

IUPAC1-(5-decoxyfuran-2-yl)ethanone
SMILESCCCCCCCCCCOc1ccc(C(C)=O)o1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-13-18-16-12-11-15(19-16)14(2)17/h11-12H,3-10,13H2,1-2H3
InChIKeyQJEVIDGDIDQRHZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.00
Rot. Bonds11

About 1-(5-decoxyfuran-2-yl)ethanone

1-(5-decoxyfuran-2-yl)ethanone (PubChem CID 22152433) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(5-decoxyfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-decoxyfuran-2-yl)ethanone
PubChem CID22152433
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-(5-decoxyfuran-2-yl)ethanone
SMILESCCCCCCCCCCOc1ccc(C(C)=O)o1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-13-18-16-12-11-15(19-16)14(2)17/h11-12H,3-10,13H2,1-2H3
InChIKeyQJEVIDGDIDQRHZ-UHFFFAOYSA-N
XLogP5.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-decoxyfuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-pentadec-9-enoxyfuran-2-yl)ethanone
CID 54484583
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
sodium 5-tetradecoxyfuran-2-carboxylate
CID 70609100
1-(5-ethoxyfuran-2-yl)ethanone
CID 67092412
1-(diethylamino)ethyl 5-hexadecoxyfuran-2-carboxylate
CID 70610212
2,3-dihydroxypropyl 5-tetradecoxyfuran-2-carboxylate
CID 169131554
dichloromethane;propan-2-yl 5-tetradecoxyfuran-2-carboxylate;5-tetradecoxyfuran-2-carboxylic acid
CID 157100187
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
1-(4-acetyl-2,5-dihexadecoxyphenyl)ethanone
CID 101035610
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596

Frequently Asked Questions

What is the IUPAC name of 1-(5-decoxyfuran-2-yl)ethanone?
The IUPAC name of 1-(5-decoxyfuran-2-yl)ethanone (CID 22152433) is 1-(5-decoxyfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-decoxyfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-decoxyfuran-2-yl)ethanone is CCCCCCCCCCOc1ccc(C(C)=O)o1.
What is the InChIKey of 1-(5-decoxyfuran-2-yl)ethanone?
The InChIKey is QJEVIDGDIDQRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-10-13-18-16-12-11-15(19-16)14(2)17/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(5-decoxyfuran-2-yl)ethanone?
1-(5-decoxyfuran-2-yl)ethanone has a molecular weight of 266.38 g/mol, XLogP of 5.00, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-decoxyfuran-2-yl)ethanone is sourced from PubChem (CID 22152433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).