decane-2,5-dione

C10H18O2 — CID 11030272

IUPACdecane-2,5-dione
SMILESCCCCCC(=O)CCC(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(12)8-7-9(2)11/h3-8H2,1-2H3
InChIKeyRJRFVJDPTHVIRV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.51
Rot. Bonds7

About decane-2,5-dione

decane-2,5-dione (PubChem CID 11030272) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is decane-2,5-dione.

Molecular Properties

Compound Namedecane-2,5-dione
PubChem CID11030272
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedecane-2,5-dione
SMILESCCCCCC(=O)CCC(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(12)8-7-9(2)11/h3-8H2,1-2H3
InChIKeyRJRFVJDPTHVIRV-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of decane-2,5-dione?
The IUPAC name of decane-2,5-dione (CID 11030272) is decane-2,5-dione.
What is the SMILES notation for decane-2,5-dione?
The canonical SMILES for decane-2,5-dione is CCCCCC(=O)CCC(C)=O.
What is the InChIKey of decane-2,5-dione?
The InChIKey is RJRFVJDPTHVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-10(12)8-7-9(2)11/h3-8H2,1-2H3.
What are the key properties of decane-2,5-dione?
decane-2,5-dione has a molecular weight of 170.25 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-2,5-dione is sourced from PubChem (CID 11030272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).