6-ethyldec-6-ene-2,5-dione

C12H20O2 — CID 57181280

IUPAC6-ethyldec-6-ene-2,5-dione
SMILESCCCC=C(CC)C(=O)CCC(C)=O
InChIInChI=1S/C12H20O2/c1-4-6-7-11(5-2)12(14)9-8-10(3)13/h7H,4-6,8-9H2,1-3H3
InChIKeyLELCOUSQHLLLTK-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.06
Rot. Bonds7

About 6-ethyldec-6-ene-2,5-dione

6-ethyldec-6-ene-2,5-dione (PubChem CID 57181280) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-ethyldec-6-ene-2,5-dione.

Molecular Properties

Compound Name6-ethyldec-6-ene-2,5-dione
PubChem CID57181280
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-ethyldec-6-ene-2,5-dione
SMILESCCCC=C(CC)C(=O)CCC(C)=O
InChIInChI=1S/C12H20O2/c1-4-6-7-11(5-2)12(14)9-8-10(3)13/h7H,4-6,8-9H2,1-3H3
InChIKeyLELCOUSQHLLLTK-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
3-propylhept-3-en-2-one
CID 537652
(E)-2-ethylhex-2-enamide
CID 87982228
dibutyltin(2+);bis(2-ethylhex-2-enoate)
CID 88626421
(7Z)-7-(methylaminomethylidene)nonane-2,6-dione
CID 166959865
hexane-2,5-dione
CID 8035
(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one
CID 11298818
6-ethyl-4-fluorodeca-3,6-dien-5-one
CID 139816653
4-ethyl-3-methylideneoct-4-ene
CID 54376139
tris(butan-2-one);tris(pentan-2-one)
CID 157203121
prop-2-enyl 2-ethylhex-2-enoate
CID 139948290
3-ethyl-7-methylocta-3,7-dien-2-one
CID 54536933

Frequently Asked Questions

What is the IUPAC name of 6-ethyldec-6-ene-2,5-dione?
The IUPAC name of 6-ethyldec-6-ene-2,5-dione (CID 57181280) is 6-ethyldec-6-ene-2,5-dione.
What is the SMILES notation for 6-ethyldec-6-ene-2,5-dione?
The canonical SMILES for 6-ethyldec-6-ene-2,5-dione is CCCC=C(CC)C(=O)CCC(C)=O.
What is the InChIKey of 6-ethyldec-6-ene-2,5-dione?
The InChIKey is LELCOUSQHLLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-6-7-11(5-2)12(14)9-8-10(3)13/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 6-ethyldec-6-ene-2,5-dione?
6-ethyldec-6-ene-2,5-dione has a molecular weight of 196.29 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldec-6-ene-2,5-dione is sourced from PubChem (CID 57181280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).