5-methyltridecane-2,6-dione

C14H26O2 — CID 13130352

IUPAC5-methyltridecane-2,6-dione
SMILESCCCCCCCC(=O)C(C)CCC(C)=O
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-14(16)12(2)10-11-13(3)15/h12H,4-11H2,1-3H3
InChIKeyOVWXZHNQMNPSCR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.92
Rot. Bonds10

About 5-methyltridecane-2,6-dione

5-methyltridecane-2,6-dione (PubChem CID 13130352) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-methyltridecane-2,6-dione.

Molecular Properties

Compound Name5-methyltridecane-2,6-dione
PubChem CID13130352
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-methyltridecane-2,6-dione
SMILESCCCCCCCC(=O)C(C)CCC(C)=O
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-14(16)12(2)10-11-13(3)15/h12H,4-11H2,1-3H3
InChIKeyOVWXZHNQMNPSCR-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.92
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

7-methyldecane-2,6-dione
CID 14545114
1-methoxy-3-methyltridecan-4-one
CID 115807260
9-methylundecane-2,8-dione
CID 178033213
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
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
17-methylpentacosan-2-one
CID 57068605
(13R)-13-hydroxynonadecan-2-one
CID 58468474

Frequently Asked Questions

What is the IUPAC name of 5-methyltridecane-2,6-dione?
The IUPAC name of 5-methyltridecane-2,6-dione (CID 13130352) is 5-methyltridecane-2,6-dione.
What is the SMILES notation for 5-methyltridecane-2,6-dione?
The canonical SMILES for 5-methyltridecane-2,6-dione is CCCCCCCC(=O)C(C)CCC(C)=O.
What is the InChIKey of 5-methyltridecane-2,6-dione?
The InChIKey is OVWXZHNQMNPSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-7-8-9-14(16)12(2)10-11-13(3)15/h12H,4-11H2,1-3H3.
What are the key properties of 5-methyltridecane-2,6-dione?
5-methyltridecane-2,6-dione has a molecular weight of 226.36 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyltridecane-2,6-dione is sourced from PubChem (CID 13130352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).