1-(5-methylfuran-2-yl)undecan-1-one

C16H26O2 — CID 114968847

IUPAC1-(5-methylfuran-2-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc(C)o1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)18-16/h12-13H,3-11H2,1-2H3
InChIKeyYZPIJPFNXNGZOO-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.30
Rot. Bonds10

About 1-(5-methylfuran-2-yl)undecan-1-one

1-(5-methylfuran-2-yl)undecan-1-one (PubChem CID 114968847) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)undecan-1-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)undecan-1-one
PubChem CID114968847
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(5-methylfuran-2-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1ccc(C)o1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)18-16/h12-13H,3-11H2,1-2H3
InChIKeyYZPIJPFNXNGZOO-UHFFFAOYSA-N
XLogP5.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.30
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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Related Compounds

1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
1-(5-bromofuran-2-yl)tridecan-1-one
CID 12603011
1-(5-bromofuran-2-yl)heptan-1-one
CID 114752198
1-(5-chlorofuran-2-yl)nonan-1-one
CID 106690921
5-[10-(5-methylfuran-2-yl)-10-oxodecanoyl]furan-2-sulfonic acid
CID 165038590
5-hexadecanoylfuran-2-sulfonic acid
CID 155143261
1-(5-methylfuran-2-yl)hex-5-yn-1-one
CID 115798391
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232321
5-pentanoylfuran-2-carboxylic acid
CID 97034823

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)undecan-1-one?
The IUPAC name of 1-(5-methylfuran-2-yl)undecan-1-one (CID 114968847) is 1-(5-methylfuran-2-yl)undecan-1-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)undecan-1-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)undecan-1-one is CCCCCCCCCCC(=O)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)undecan-1-one?
The InChIKey is YZPIJPFNXNGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-15(17)16-13-12-14(2)18-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)undecan-1-one?
1-(5-methylfuran-2-yl)undecan-1-one has a molecular weight of 250.38 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)undecan-1-one is sourced from PubChem (CID 114968847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).