4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one

C12H18O3 — CID 24799390

IUPAC4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one
SMILESC=C(C)CC(=O)COCC(=O)CC(=C)C
InChIInChI=1S/C12H18O3/c1-9(2)5-11(13)7-15-8-12(14)6-10(3)4/h1,3,5-8H2,2,4H3
InChIKeyVIAIUGZHKUMOTJ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.07
Rot. Bonds8

About 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one

4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one (PubChem CID 24799390) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one
PubChem CID24799390
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one
SMILESC=C(C)CC(=O)COCC(=O)CC(=C)C
InChIInChI=1S/C12H18O3/c1-9(2)5-11(13)7-15-8-12(14)6-10(3)4/h1,3,5-8H2,2,4H3
InChIKeyVIAIUGZHKUMOTJ-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Fluoro-3,4-dimethylpent-4-enoxy)propan-2-one
CID 164161942
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-one
CID 103214222
4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one
CID 103473838
(E)-6,10-dimethyl-2-oxo-5,9-undecadien-1-ol acetate
CID 13291921
Propan-2-yl 4-methyl-2-oxopent-4-enoate
CID 18370230
Ethyl 4-methyl-2-oxopent-4-enoate
CID 18370466
(6,10-Dimethyl-2-oxoundeca-5,9-dienyl) acetate
CID 54426011
2-Methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxypent-1-en-3-one
CID 57020250
1-[(2-Methylpropan-2-yl)oxy]hex-5-en-2-one
CID 58375741
4-Methyl-1-(4-methyl-2,3-dioxopent-4-enoxy)pent-4-ene-2,3-dione
CID 88423884
1-Methoxy-3,3,4-trimethylpent-4-en-2-one
CID 138560023
1-Ethoxy-3,3,4-trimethylpent-4-en-2-one
CID 138560026

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one?
The IUPAC name of 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one (CID 24799390) is 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one.
What is the SMILES notation for 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one?
The canonical SMILES for 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one is C=C(C)CC(=O)COCC(=O)CC(=C)C.
What is the InChIKey of 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one?
The InChIKey is VIAIUGZHKUMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(2)5-11(13)7-15-8-12(14)6-10(3)4/h1,3,5-8H2,2,4H3.
What are the key properties of 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one?
4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one has a molecular weight of 210.27 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-2-oxopent-4-enoxy)pent-4-en-2-one is sourced from PubChem (CID 24799390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).