5-ethyl-10-methyltetradecane-6,7,9-trione

C17H30O3 — CID 146287251

IUPAC5-ethyl-10-methyltetradecane-6,7,9-trione
SMILESCCCCC(C)C(=O)CC(=O)C(=O)C(CC)CCCC
InChIInChI=1S/C17H30O3/c1-5-8-10-13(4)15(18)12-16(19)17(20)14(7-3)11-9-6-2/h13-14H,5-12H2,1-4H3
InChIKeyXARPTNLZPHDGPB-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.13
Rot. Bonds12

About 5-ethyl-10-methyltetradecane-6,7,9-trione

5-ethyl-10-methyltetradecane-6,7,9-trione (PubChem CID 146287251) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 5-ethyl-10-methyltetradecane-6,7,9-trione.

Molecular Properties

Compound Name5-ethyl-10-methyltetradecane-6,7,9-trione
PubChem CID146287251
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name5-ethyl-10-methyltetradecane-6,7,9-trione
SMILESCCCCC(C)C(=O)CC(=O)C(=O)C(CC)CCCC
InChIInChI=1S/C17H30O3/c1-5-8-10-13(4)15(18)12-16(19)17(20)14(7-3)11-9-6-2/h13-14H,5-12H2,1-4H3
InChIKeyXARPTNLZPHDGPB-UHFFFAOYSA-N
XLogP4.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-methyldecane-3,5-dione
CID 158922502
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
7,10-diethylhexadecane-8,9-dione
CID 150805323
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
CID 21474875
CID 21474875
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
2-ethylhexanoate;tin(2+)
CID 23616604

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10-methyltetradecane-6,7,9-trione?
The IUPAC name of 5-ethyl-10-methyltetradecane-6,7,9-trione (CID 146287251) is 5-ethyl-10-methyltetradecane-6,7,9-trione.
What is the SMILES notation for 5-ethyl-10-methyltetradecane-6,7,9-trione?
The canonical SMILES for 5-ethyl-10-methyltetradecane-6,7,9-trione is CCCCC(C)C(=O)CC(=O)C(=O)C(CC)CCCC.
What is the InChIKey of 5-ethyl-10-methyltetradecane-6,7,9-trione?
The InChIKey is XARPTNLZPHDGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-8-10-13(4)15(18)12-16(19)17(20)14(7-3)11-9-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 5-ethyl-10-methyltetradecane-6,7,9-trione?
5-ethyl-10-methyltetradecane-6,7,9-trione has a molecular weight of 282.42 g/mol, XLogP of 4.13, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10-methyltetradecane-6,7,9-trione is sourced from PubChem (CID 146287251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).