nonane-2,5-dione

C9H16O2 — CID 11126503

IUPACnonane-2,5-dione
SMILESCCCCC(=O)CCC(C)=O
InChIInChI=1S/C9H16O2/c1-3-4-5-9(11)7-6-8(2)10/h3-7H2,1-2H3
InChIKeyLWOMTZPPFKJNPA-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds6

About nonane-2,5-dione

nonane-2,5-dione (PubChem CID 11126503) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is nonane-2,5-dione.

Molecular Properties

Compound Namenonane-2,5-dione
PubChem CID11126503
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenonane-2,5-dione
SMILESCCCCC(=O)CCC(C)=O
InChIInChI=1S/C9H16O2/c1-3-4-5-9(11)7-6-8(2)10/h3-7H2,1-2H3
InChIKeyLWOMTZPPFKJNPA-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of nonane-2,5-dione?
The IUPAC name of nonane-2,5-dione (CID 11126503) is nonane-2,5-dione.
What is the SMILES notation for nonane-2,5-dione?
The canonical SMILES for nonane-2,5-dione is CCCCC(=O)CCC(C)=O.
What is the InChIKey of nonane-2,5-dione?
The InChIKey is LWOMTZPPFKJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-5-9(11)7-6-8(2)10/h3-7H2,1-2H3.
What are the key properties of nonane-2,5-dione?
nonane-2,5-dione has a molecular weight of 156.22 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-2,5-dione is sourced from PubChem (CID 11126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).