6-(furan-2-yl)hex-5-yn-2-one

C10H10O2 — CID 125495347

IUPAC6-(furan-2-yl)hex-5-yn-2-one
SMILESCC(=O)CCC#Cc1ccco1
InChIInChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h4,7-8H,2,5H2,1H3
InChIKeyXNFQCBNKSJKSMB-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.00
Rot. Bonds2

About 6-(furan-2-yl)hex-5-yn-2-one

6-(furan-2-yl)hex-5-yn-2-one (PubChem CID 125495347) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-(furan-2-yl)hex-5-yn-2-one.

Molecular Properties

Compound Name6-(furan-2-yl)hex-5-yn-2-one
PubChem CID125495347
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name6-(furan-2-yl)hex-5-yn-2-one
SMILESCC(=O)CCC#Cc1ccco1
InChIInChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h4,7-8H,2,5H2,1H3
InChIKeyXNFQCBNKSJKSMB-UHFFFAOYSA-N
XLogP2.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)hex-5-yn-2-one?
The IUPAC name of 6-(furan-2-yl)hex-5-yn-2-one (CID 125495347) is 6-(furan-2-yl)hex-5-yn-2-one.
What is the SMILES notation for 6-(furan-2-yl)hex-5-yn-2-one?
The canonical SMILES for 6-(furan-2-yl)hex-5-yn-2-one is CC(=O)CCC#Cc1ccco1.
What is the InChIKey of 6-(furan-2-yl)hex-5-yn-2-one?
The InChIKey is XNFQCBNKSJKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h4,7-8H,2,5H2,1H3.
What are the key properties of 6-(furan-2-yl)hex-5-yn-2-one?
6-(furan-2-yl)hex-5-yn-2-one has a molecular weight of 162.19 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)hex-5-yn-2-one is sourced from PubChem (CID 125495347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).