3-undecylfuran

C15H26O — CID 13123134

IUPAC3-undecylfuran
SMILESCCCCCCCCCCCc1ccoc1
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3
InChIKeyPZOCGKSMPBUAPA-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.35
Rot. Bonds10

About 3-undecylfuran

3-undecylfuran (PubChem CID 13123134) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-undecylfuran.

Molecular Properties

Compound Name3-undecylfuran
PubChem CID13123134
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-undecylfuran
SMILESCCCCCCCCCCCc1ccoc1
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3
InChIKeyPZOCGKSMPBUAPA-UHFFFAOYSA-N
XLogP5.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-octylfuran
CID 12700162
1-(furan-3-yl)octan-2-amine
CID 105029979
1-butyl-4-nonylbenzene
CID 59545302
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
4-dodecylpyridin-1-ium iodide
CID 175685302
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-(furan-3-yl)-N-methyloctan-2-amine
CID 105029673
3-ethylfuran;methanol
CID 174626479
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
1-ethyl-4-octacosylbenzene
CID 175218304

Frequently Asked Questions

What is the IUPAC name of 3-undecylfuran?
The IUPAC name of 3-undecylfuran (CID 13123134) is 3-undecylfuran.
What is the SMILES notation for 3-undecylfuran?
The canonical SMILES for 3-undecylfuran is CCCCCCCCCCCc1ccoc1.
What is the InChIKey of 3-undecylfuran?
The InChIKey is PZOCGKSMPBUAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3.
What are the key properties of 3-undecylfuran?
3-undecylfuran has a molecular weight of 222.37 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecylfuran is sourced from PubChem (CID 13123134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).