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

C18H30O2 — CID 14377108

IUPAC1-(5-dodecylfuran-2-yl)ethanone
SMILESCCCCCCCCCCCCc1ccc(C(C)=O)o1
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20-17)16(2)19/h14-15H,3-13H2,1-2H3
InChIKeyCDQRKPOIGQRDHU-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.95
Rot. Bonds12

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

1-(5-dodecylfuran-2-yl)ethanone (PubChem CID 14377108) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(5-dodecylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-dodecylfuran-2-yl)ethanone
PubChem CID14377108
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(5-dodecylfuran-2-yl)ethanone
SMILESCCCCCCCCCCCCc1ccc(C(C)=O)o1
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20-17)16(2)19/h14-15H,3-13H2,1-2H3
InChIKeyCDQRKPOIGQRDHU-UHFFFAOYSA-N
XLogP5.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.95
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 1-(5-dodecylfuran-2-yl)ethanone?
The IUPAC name of 1-(5-dodecylfuran-2-yl)ethanone (CID 14377108) is 1-(5-dodecylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-dodecylfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-dodecylfuran-2-yl)ethanone is CCCCCCCCCCCCc1ccc(C(C)=O)o1.
What is the InChIKey of 1-(5-dodecylfuran-2-yl)ethanone?
The InChIKey is CDQRKPOIGQRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20-17)16(2)19/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-(5-dodecylfuran-2-yl)ethanone?
1-(5-dodecylfuran-2-yl)ethanone has a molecular weight of 278.44 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-dodecylfuran-2-yl)ethanone is sourced from PubChem (CID 14377108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).