(6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione

C13H20O2 — CID 138507569

IUPAC(6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione
SMILESC=CC(=O)CC(=O)/C=C/C(C)(CC)CC
InChIInChI=1S/C13H20O2/c1-5-11(14)10-12(15)8-9-13(4,6-2)7-3/h5,8-9H,1,6-7,10H2,2-4H3/b9-8+
InChIKeyIFAXZYCZSVVEPR-CMDGGOBGSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds7

About (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione

(6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione (PubChem CID 138507569) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione.

Molecular Properties

Compound Name(6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione
PubChem CID138507569
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione
SMILESC=CC(=O)CC(=O)/C=C/C(C)(CC)CC
InChIInChI=1S/C13H20O2/c1-5-11(14)10-12(15)8-9-13(4,6-2)7-3/h5,8-9H,1,6-7,10H2,2-4H3/b9-8+
InChIKeyIFAXZYCZSVVEPR-CMDGGOBGSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione?
The IUPAC name of (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione (CID 138507569) is (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione.
What is the SMILES notation for (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione?
The canonical SMILES for (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione is C=CC(=O)CC(=O)/C=C/C(C)(CC)CC.
What is the InChIKey of (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione?
The InChIKey is IFAXZYCZSVVEPR-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-11(14)10-12(15)8-9-13(4,6-2)7-3/h5,8-9H,1,6-7,10H2,2-4H3/b9-8+.
What are the key properties of (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione?
(6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione has a molecular weight of 208.30 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-ethyl-8-methyldeca-1,6-diene-3,5-dione is sourced from PubChem (CID 138507569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).