heptadecane-2,5,8,11-tetrone

C17H28O4 — CID 12716046

IUPACheptadecane-2,5,8,11-tetrone
SMILESCCCCCCC(=O)CCC(=O)CCC(=O)CCC(C)=O
InChIInChI=1S/C17H28O4/c1-3-4-5-6-7-15(19)10-11-17(21)13-12-16(20)9-8-14(2)18/h3-13H2,1-2H3
InChIKeyOQYRRMYRAOBXRC-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.59
Rot. Bonds14

About heptadecane-2,5,8,11-tetrone

heptadecane-2,5,8,11-tetrone (PubChem CID 12716046) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is heptadecane-2,5,8,11-tetrone.

Molecular Properties

Compound Nameheptadecane-2,5,8,11-tetrone
PubChem CID12716046
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Nameheptadecane-2,5,8,11-tetrone
SMILESCCCCCCC(=O)CCC(=O)CCC(=O)CCC(C)=O
InChIInChI=1S/C17H28O4/c1-3-4-5-6-7-15(19)10-11-17(21)13-12-16(20)9-8-14(2)18/h3-13H2,1-2H3
InChIKeyOQYRRMYRAOBXRC-UHFFFAOYSA-N
XLogP3.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentadecane-2,7-dione
CID 15360002
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
nonan-2-one
CID 13187
dodecan-5-one
CID 29771
octadecakis(hexane);nonan-2-one
CID 173226284
tricosan-2-one
CID 529806

Frequently Asked Questions

What is the IUPAC name of heptadecane-2,5,8,11-tetrone?
The IUPAC name of heptadecane-2,5,8,11-tetrone (CID 12716046) is heptadecane-2,5,8,11-tetrone.
What is the SMILES notation for heptadecane-2,5,8,11-tetrone?
The canonical SMILES for heptadecane-2,5,8,11-tetrone is CCCCCCC(=O)CCC(=O)CCC(=O)CCC(C)=O.
What is the InChIKey of heptadecane-2,5,8,11-tetrone?
The InChIKey is OQYRRMYRAOBXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-3-4-5-6-7-15(19)10-11-17(21)13-12-16(20)9-8-14(2)18/h3-13H2,1-2H3.
What are the key properties of heptadecane-2,5,8,11-tetrone?
heptadecane-2,5,8,11-tetrone has a molecular weight of 296.41 g/mol, XLogP of 3.59, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecane-2,5,8,11-tetrone is sourced from PubChem (CID 12716046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).