pentadecane-2,7-dione

C15H28O2 — CID 15360002

IUPACpentadecane-2,7-dione
SMILESCCCCCCCCC(=O)CCCCC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-12-15(17)13-10-9-11-14(2)16/h3-13H2,1-2H3
InChIKeyFZALCIBTYADGPS-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.46
Rot. Bonds12

About pentadecane-2,7-dione

pentadecane-2,7-dione (PubChem CID 15360002) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is pentadecane-2,7-dione.

Molecular Properties

Compound Namepentadecane-2,7-dione
PubChem CID15360002
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namepentadecane-2,7-dione
SMILESCCCCCCCCC(=O)CCCCC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-12-15(17)13-10-9-11-14(2)16/h3-13H2,1-2H3
InChIKeyFZALCIBTYADGPS-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.46
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

heptadecane-2,5,8,11-tetrone
CID 12716046
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
decan-2-one
CID 12741
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
nonatriacontan-2-one
CID 141365496
methanol;octan-2-one
CID 158579665
octan-2-one;platinum
CID 174910160
methane;octan-2-one
CID 159061487
nickel;octan-2-one
CID 174810035
nonadecan-7-one
CID 12913434

Frequently Asked Questions

What is the IUPAC name of pentadecane-2,7-dione?
The IUPAC name of pentadecane-2,7-dione (CID 15360002) is pentadecane-2,7-dione.
What is the SMILES notation for pentadecane-2,7-dione?
The canonical SMILES for pentadecane-2,7-dione is CCCCCCCCC(=O)CCCCC(C)=O.
What is the InChIKey of pentadecane-2,7-dione?
The InChIKey is FZALCIBTYADGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-12-15(17)13-10-9-11-14(2)16/h3-13H2,1-2H3.
What are the key properties of pentadecane-2,7-dione?
pentadecane-2,7-dione has a molecular weight of 240.39 g/mol, XLogP of 4.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecane-2,7-dione is sourced from PubChem (CID 15360002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).