3-ethyl-8-methyldec-5-ene-4,7-dione

C13H22O2 — CID 173493765

IUPAC3-ethyl-8-methyldec-5-ene-4,7-dione
SMILESCCC(C)C(=O)C=CC(=O)C(CC)CC
InChIInChI=1S/C13H22O2/c1-5-10(4)12(14)8-9-13(15)11(6-2)7-3/h8-11H,5-7H2,1-4H3
InChIKeyKZSUNSVEACFUOT-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.16
Rot. Bonds7

About 3-ethyl-8-methyldec-5-ene-4,7-dione

3-ethyl-8-methyldec-5-ene-4,7-dione (PubChem CID 173493765) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-8-methyldec-5-ene-4,7-dione.

Molecular Properties

Compound Name3-ethyl-8-methyldec-5-ene-4,7-dione
PubChem CID173493765
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-ethyl-8-methyldec-5-ene-4,7-dione
SMILESCCC(C)C(=O)C=CC(=O)C(CC)CC
InChIInChI=1S/C13H22O2/c1-5-10(4)12(14)8-9-13(15)11(6-2)7-3/h8-11H,5-7H2,1-4H3
InChIKeyKZSUNSVEACFUOT-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.16
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

(E)-3-methyloct-5-en-4-one
CID 14440741
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
CID 130511571
4-methylhex-1-en-3-one
CID 15724302
3-ethyl-2-oxopentanal
CID 54305877
(E)-5-methyl-1-pyrrolidin-1-ylhept-2-en-4-one
CID 146188205
1,1,1-trifluoro-2-hydroxy-5-methylhept-2-en-4-one
CID 153484564
(E)-4-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]hex-1-en-3-one
CID 137471242
5-ethyl-2-methyl-4-oxohept-2-enoic acid
CID 173318220
(Z)-5-ethyl-4-oxo-2-pentan-3-ylhept-2-enoic acid
CID 175456584
ethane;2-methylbutanoic acid
CID 87621166
methane;(2S)-2-methylbutanoic acid
CID 159302978
iron;2-methylbutanoic acid
CID 175205801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyldec-5-ene-4,7-dione?
The IUPAC name of 3-ethyl-8-methyldec-5-ene-4,7-dione (CID 173493765) is 3-ethyl-8-methyldec-5-ene-4,7-dione.
What is the SMILES notation for 3-ethyl-8-methyldec-5-ene-4,7-dione?
The canonical SMILES for 3-ethyl-8-methyldec-5-ene-4,7-dione is CCC(C)C(=O)C=CC(=O)C(CC)CC.
What is the InChIKey of 3-ethyl-8-methyldec-5-ene-4,7-dione?
The InChIKey is KZSUNSVEACFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-10(4)12(14)8-9-13(15)11(6-2)7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-8-methyldec-5-ene-4,7-dione?
3-ethyl-8-methyldec-5-ene-4,7-dione has a molecular weight of 210.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyldec-5-ene-4,7-dione is sourced from PubChem (CID 173493765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).