3-penta-2,4-dienylpentane-2,4-dione

C10H14O2 — CID 539300

IUPAC3-penta-2,4-dienylpentane-2,4-dione
SMILESC=CC=CCC(C(C)=O)C(C)=O
InChIInChI=1S/C10H14O2/c1-4-5-6-7-10(8(2)11)9(3)12/h4-6,10H,1,7H2,2-3H3
InChIKeyFEJWXJKKSRPXLY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds5

About 3-penta-2,4-dienylpentane-2,4-dione

3-penta-2,4-dienylpentane-2,4-dione (PubChem CID 539300) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-penta-2,4-dienylpentane-2,4-dione.

Molecular Properties

Compound Name3-penta-2,4-dienylpentane-2,4-dione
PubChem CID539300
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-penta-2,4-dienylpentane-2,4-dione
SMILESC=CC=CCC(C(C)=O)C(C)=O
InChIInChI=1S/C10H14O2/c1-4-5-6-7-10(8(2)11)9(3)12/h4-6,10H,1,7H2,2-3H3
InChIKeyFEJWXJKKSRPXLY-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 171119152
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
(4S,6E)-2-methylnona-6,8-dien-4-ol
CID 162418483
(5E)-octa-5,7-dien-3-ol
CID 12576352
octa-1,5,7-trien-3-ol
CID 57193976
(3Z)-6,7-dimethylocta-1,3-diene
CID 145174537
butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116
tetrakis(2-acetylpent-4-enoate);titanium(4+)
CID 173063293
2-acetylpent-4-enoate;methanolate;titanium(4+)
CID 173160592
N-hexa-3,5-dienylacetamide
CID 59663062
octa-5,7-dien-3-amine
CID 88768699
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848

Frequently Asked Questions

What is the IUPAC name of 3-penta-2,4-dienylpentane-2,4-dione?
The IUPAC name of 3-penta-2,4-dienylpentane-2,4-dione (CID 539300) is 3-penta-2,4-dienylpentane-2,4-dione.
What is the SMILES notation for 3-penta-2,4-dienylpentane-2,4-dione?
The canonical SMILES for 3-penta-2,4-dienylpentane-2,4-dione is C=CC=CCC(C(C)=O)C(C)=O.
What is the InChIKey of 3-penta-2,4-dienylpentane-2,4-dione?
The InChIKey is FEJWXJKKSRPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-6-7-10(8(2)11)9(3)12/h4-6,10H,1,7H2,2-3H3.
What are the key properties of 3-penta-2,4-dienylpentane-2,4-dione?
3-penta-2,4-dienylpentane-2,4-dione has a molecular weight of 166.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-penta-2,4-dienylpentane-2,4-dione is sourced from PubChem (CID 539300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).