nona-3,5-diene-2,7-dione

C9H12O2 — CID 74986099

IUPACnona-3,5-diene-2,7-dione
SMILESCCC(=O)C=CC=CC(C)=O
InChIInChI=1S/C9H12O2/c1-3-9(11)7-5-4-6-8(2)10/h4-7H,3H2,1-2H3
InChIKeyJGLKRSKSVQAALX-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.67
Rot. Bonds4

About nona-3,5-diene-2,7-dione

nona-3,5-diene-2,7-dione (PubChem CID 74986099) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is nona-3,5-diene-2,7-dione.

Molecular Properties

Compound Namenona-3,5-diene-2,7-dione
PubChem CID74986099
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namenona-3,5-diene-2,7-dione
SMILESCCC(=O)C=CC=CC(C)=O
InChIInChI=1S/C9H12O2/c1-3-9(11)7-5-4-6-8(2)10/h4-7H,3H2,1-2H3
InChIKeyJGLKRSKSVQAALX-UHFFFAOYSA-N
XLogP1.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.67
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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Related Compounds

(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
7-methylnona-4,6-dien-3-one
CID 90846612
(3E)-nona-3,5-dien-2-one
CID 131243861
9,9-dimethylundeca-4,6-diene-3,8-dione
CID 91090491
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(E)-1-hydroxypent-1-en-3-one
CID 12637148
(E)-4-oxohex-2-enamide
CID 153226355
6-oxohepta-2,4-dienal
CID 54295604
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(E)-hex-3-ene-2,5-dione
CID 5363639

Frequently Asked Questions

What is the IUPAC name of nona-3,5-diene-2,7-dione?
The IUPAC name of nona-3,5-diene-2,7-dione (CID 74986099) is nona-3,5-diene-2,7-dione.
What is the SMILES notation for nona-3,5-diene-2,7-dione?
The canonical SMILES for nona-3,5-diene-2,7-dione is CCC(=O)C=CC=CC(C)=O.
What is the InChIKey of nona-3,5-diene-2,7-dione?
The InChIKey is JGLKRSKSVQAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-9(11)7-5-4-6-8(2)10/h4-7H,3H2,1-2H3.
What are the key properties of nona-3,5-diene-2,7-dione?
nona-3,5-diene-2,7-dione has a molecular weight of 152.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nona-3,5-diene-2,7-dione is sourced from PubChem (CID 74986099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).