(3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one

C10H10O2 — CID 5354760

IUPAC(3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one
SMILESCC(=O)/C=C/C=C/c1ccco1
InChIInChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h2-8H,1H3/b5-2+,6-3+
InChIKeySGYAMNNIKRWVKZ-BUSIMMOISA-N
MW162.19 g/mol
LogP2.44
Rot. Bonds3

About (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one

(3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one (PubChem CID 5354760) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one.

Molecular Properties

Compound Name(3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one
PubChem CID5354760
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one
SMILESCC(=O)/C=C/C=C/c1ccco1
InChIInChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h2-8H,1H3/b5-2+,6-3+
InChIKeySGYAMNNIKRWVKZ-BUSIMMOISA-N
XLogP2.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one?
The IUPAC name of (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one (CID 5354760) is (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one.
What is the SMILES notation for (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one?
The canonical SMILES for (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one is CC(=O)/C=C/C=C/c1ccco1.
What is the InChIKey of (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one?
The InChIKey is SGYAMNNIKRWVKZ-BUSIMMOISA-N. The full InChI is InChI=1S/C10H10O2/c1-9(11)5-2-3-6-10-7-4-8-12-10/h2-8H,1H3/b5-2+,6-3+.
What are the key properties of (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one?
(3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one has a molecular weight of 162.19 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(furan-2-yl)hexa-3,5-dien-2-one is sourced from PubChem (CID 5354760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).