6-ethyl-6-methyloctane-2,5-dione

C11H20O2 — CID 90109634

IUPAC6-ethyl-6-methyloctane-2,5-dione
SMILESCCC(C)(CC)C(=O)CCC(C)=O
InChIInChI=1S/C11H20O2/c1-5-11(4,6-2)10(13)8-7-9(3)12/h5-8H2,1-4H3
InChIKeyUBMCPXMNQYRJCO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.75
Rot. Bonds6

About 6-ethyl-6-methyloctane-2,5-dione

6-ethyl-6-methyloctane-2,5-dione (PubChem CID 90109634) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-ethyl-6-methyloctane-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyloctane-2,5-dione
PubChem CID90109634
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-ethyl-6-methyloctane-2,5-dione
SMILESCCC(C)(CC)C(=O)CCC(C)=O
InChIInChI=1S/C11H20O2/c1-5-11(4,6-2)10(13)8-7-9(3)12/h5-8H2,1-4H3
InChIKeyUBMCPXMNQYRJCO-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyloctane-2,5-dione?
The IUPAC name of 6-ethyl-6-methyloctane-2,5-dione (CID 90109634) is 6-ethyl-6-methyloctane-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyloctane-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyloctane-2,5-dione is CCC(C)(CC)C(=O)CCC(C)=O.
What is the InChIKey of 6-ethyl-6-methyloctane-2,5-dione?
The InChIKey is UBMCPXMNQYRJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(4,6-2)10(13)8-7-9(3)12/h5-8H2,1-4H3.
What are the key properties of 6-ethyl-6-methyloctane-2,5-dione?
6-ethyl-6-methyloctane-2,5-dione has a molecular weight of 184.28 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyloctane-2,5-dione is sourced from PubChem (CID 90109634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).