6-ethyl-6-propan-2-yloxane-2,4-dione

C10H16O3 — CID 57185306

IUPAC6-ethyl-6-propan-2-yloxane-2,4-dione
SMILESCCC1(C(C)C)CC(=O)CC(=O)O1
InChIInChI=1S/C10H16O3/c1-4-10(7(2)3)6-8(11)5-9(12)13-10/h7H,4-6H2,1-3H3
InChIKeyCHQYUZSVIZUHGX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds2

About 6-ethyl-6-propan-2-yloxane-2,4-dione

6-ethyl-6-propan-2-yloxane-2,4-dione (PubChem CID 57185306) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-ethyl-6-propan-2-yloxane-2,4-dione.

Molecular Properties

Compound Name6-ethyl-6-propan-2-yloxane-2,4-dione
PubChem CID57185306
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-ethyl-6-propan-2-yloxane-2,4-dione
SMILESCCC1(C(C)C)CC(=O)CC(=O)O1
InChIInChI=1S/C10H16O3/c1-4-10(7(2)3)6-8(11)5-9(12)13-10/h7H,4-6H2,1-3H3
InChIKeyCHQYUZSVIZUHGX-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[5-(hydroxymethyl)thiophen-2-yl]ethyl]-6-propan-2-yloxane-2,4-dione
CID 54504157
6-propan-2-yl-6-[2-(1H-pyrrol-3-yl)ethyl]oxane-2,4-dione
CID 90734914
6-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxane-2,4-dione
CID 54469199
2-chloro-2-ethyl-1,3-dioxane-4,6-dione
CID 69248636
(6R)-6-(iodomethyl)-6-propan-2-yloxan-2-one
CID 102487593
2,2-bis(2-methylpropyl)-1,3-dioxane-4,6-dione
CID 23303482
1-oxaspiro[5.7]tridecane-2,4-dione
CID 11356274
ethane;2-[3-[2-(2-hexan-2-yl-4,6-dioxooxan-2-yl)ethyl]phenyl]-2-methylpropanenitrile
CID 142828062
6-ethyl-6-[2-(4-methoxyphenyl)ethyl]oxane-2,4-dione
CID 10401223
ethyl 3-methylidene-5-oxo-2-propan-2-yloxolane-2-carboxylate
CID 102240659
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
2-ethyl-2-propan-2-ylcyclobutan-1-one
CID 134922592

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-propan-2-yloxane-2,4-dione?
The IUPAC name of 6-ethyl-6-propan-2-yloxane-2,4-dione (CID 57185306) is 6-ethyl-6-propan-2-yloxane-2,4-dione.
What is the SMILES notation for 6-ethyl-6-propan-2-yloxane-2,4-dione?
The canonical SMILES for 6-ethyl-6-propan-2-yloxane-2,4-dione is CCC1(C(C)C)CC(=O)CC(=O)O1.
What is the InChIKey of 6-ethyl-6-propan-2-yloxane-2,4-dione?
The InChIKey is CHQYUZSVIZUHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-10(7(2)3)6-8(11)5-9(12)13-10/h7H,4-6H2,1-3H3.
What are the key properties of 6-ethyl-6-propan-2-yloxane-2,4-dione?
6-ethyl-6-propan-2-yloxane-2,4-dione has a molecular weight of 184.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-propan-2-yloxane-2,4-dione is sourced from PubChem (CID 57185306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).