(5E)-5-pentylidenefuran-2-one

C9H12O2 — CID 12716501

IUPAC(5E)-5-pentylidenefuran-2-one
SMILESCCCC/C=C1\C=CC(=O)O1
InChIInChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h5-7H,2-4H2,1H3/b8-5+
InChIKeyICHISWQVYXYNPA-VMPITWQZSA-N
MW152.19 g/mol
LogP2.17
Rot. Bonds3

About (5E)-5-pentylidenefuran-2-one

(5E)-5-pentylidenefuran-2-one (PubChem CID 12716501) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (5E)-5-pentylidenefuran-2-one.

Molecular Properties

Compound Name(5E)-5-pentylidenefuran-2-one
PubChem CID12716501
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(5E)-5-pentylidenefuran-2-one
SMILESCCCC/C=C1\C=CC(=O)O1
InChIInChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h5-7H,2-4H2,1H3/b8-5+
InChIKeyICHISWQVYXYNPA-VMPITWQZSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.17
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

5-(2-hydroxytetradecylidene)furan-2-one
CID 73080599
furan-2,5-dione;hexadec-1-ene
CID 87102971
furan-2,5-dione;oct-1-ene
CID 86738184
(5Z)-5-hex-2-ynylidenefuran-2-one
CID 5380634
dibutyltin;furan-2,5-dione
CID 161399584
furan-2,5-dione;hexadecan-1-amine
CID 118418755
5-(bromomethylidene)furan-2-one
CID 67228360
1-ethenoxyoctadecane;furan-2,5-dione
CID 86676835
furan-2,5-dione;N-propylpropan-1-amine
CID 159497181
ethane-1,2-diol;furan-2,5-dione;octadecan-1-amine
CID 174655132
(5E)-5-[[(1S,6R,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methylidene]furan-2-one
CID 101253160
3-dodec-1-enyloxolane-2,5-dione;furan-2,5-dione
CID 174675000

Frequently Asked Questions

What is the IUPAC name of (5E)-5-pentylidenefuran-2-one?
The IUPAC name of (5E)-5-pentylidenefuran-2-one (CID 12716501) is (5E)-5-pentylidenefuran-2-one.
What is the SMILES notation for (5E)-5-pentylidenefuran-2-one?
The canonical SMILES for (5E)-5-pentylidenefuran-2-one is CCCC/C=C1\C=CC(=O)O1.
What is the InChIKey of (5E)-5-pentylidenefuran-2-one?
The InChIKey is ICHISWQVYXYNPA-VMPITWQZSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h5-7H,2-4H2,1H3/b8-5+.
What are the key properties of (5E)-5-pentylidenefuran-2-one?
(5E)-5-pentylidenefuran-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-pentylidenefuran-2-one is sourced from PubChem (CID 12716501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).