6-ethyl-2-methyldecane-3,5-dione

C26H48O4 — CID 158922502

IUPAC6-ethyl-2-methyldecane-3,5-dione
SMILESCCCCC(CC)C(=O)CC(=O)C(C)C.CCCCC(CC)C(=O)CC(=O)C(C)C
InChIInChI=1S/2C13H24O2/c2*1-5-7-8-11(6-2)13(15)9-12(14)10(3)4/h2*10-11H,5-9H2,1-4H3
InChIKeyJHZZBLOOEAFARO-UHFFFAOYSA-N
MW424.67 g/mol
LogP6.77
Rot. Bonds16

About 6-ethyl-2-methyldecane-3,5-dione

6-ethyl-2-methyldecane-3,5-dione (PubChem CID 158922502) has the molecular formula C26H48O4 and a molecular weight of 424.67 g/mol. Its IUPAC name is 6-ethyl-2-methyldecane-3,5-dione.

Molecular Properties

Compound Name6-ethyl-2-methyldecane-3,5-dione
PubChem CID158922502
Molecular FormulaC26H48O4
Molecular Weight424.67 g/mol
Exact Mass424.36
IUPAC Name6-ethyl-2-methyldecane-3,5-dione
SMILESCCCCC(CC)C(=O)CC(=O)C(C)C.CCCCC(CC)C(=O)CC(=O)C(C)C
InChIInChI=1S/2C13H24O2/c2*1-5-7-8-11(6-2)13(15)9-12(14)10(3)4/h2*10-11H,5-9H2,1-4H3
InChIKeyJHZZBLOOEAFARO-UHFFFAOYSA-N
XLogP6.77
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
5-ethylpentadecane-2,4-dione
CID 11715963
5-ethylpentadecan-6-one
CID 114966402
5-ethyl-10-methyltetradecane-6,7,9-trione
CID 146287251
5,11-diethyl-8,8-dimethylpentadecane-6,10-dione
CID 19870279
4-butyl-2-methyloctan-3-one
CID 171426152
(4S)-4-ethyldecan-3-one
CID 134895926
4-butyl-2-methyldecan-3-one
CID 130218662
CID 21474875
CID 21474875
2-ethylhexanoic acid;hexadecane
CID 174408772
3,5-diethylnonan-4-one
CID 115785527
5-ethylundecan-4-one
CID 11687075

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyldecane-3,5-dione?
The IUPAC name of 6-ethyl-2-methyldecane-3,5-dione (CID 158922502) is 6-ethyl-2-methyldecane-3,5-dione.
What is the SMILES notation for 6-ethyl-2-methyldecane-3,5-dione?
The canonical SMILES for 6-ethyl-2-methyldecane-3,5-dione is CCCCC(CC)C(=O)CC(=O)C(C)C.CCCCC(CC)C(=O)CC(=O)C(C)C.
What is the InChIKey of 6-ethyl-2-methyldecane-3,5-dione?
The InChIKey is JHZZBLOOEAFARO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24O2/c2*1-5-7-8-11(6-2)13(15)9-12(14)10(3)4/h2*10-11H,5-9H2,1-4H3.
What are the key properties of 6-ethyl-2-methyldecane-3,5-dione?
6-ethyl-2-methyldecane-3,5-dione has a molecular weight of 424.67 g/mol, XLogP of 6.77, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyldecane-3,5-dione is sourced from PubChem (CID 158922502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).