[1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate

C13H18O5 — CID 157492699

IUPAC[1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOC(=O)C(C)OC(=O)C(=C)C
InChIInChI=1S/C13H18O5/c1-8(2)11(14)6-7-17-13(16)10(5)18-12(15)9(3)4/h10H,1,3,6-7H2,2,4-5H3
InChIKeySDSRBQQYHYEPSW-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.57
Rot. Bonds7

About [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate

[1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate (PubChem CID 157492699) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
PubChem CID157492699
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name[1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOC(=O)C(C)OC(=O)C(=C)C
InChIInChI=1S/C13H18O5/c1-8(2)11(14)6-7-17-13(16)10(5)18-12(15)9(3)4/h10H,1,3,6-7H2,2,4-5H3
InChIKeySDSRBQQYHYEPSW-UHFFFAOYSA-N
XLogP1.57
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
CID 54060934
[(2R)-1-ethoxy-1-oxopropan-2-yl] 3-hydroperoxy-2-methylidenebutanoate
CID 134995620
(4-Methyl-3-oxopent-4-en-2-yl) 2-methylprop-2-enoate
CID 17864486
1-(4-Methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate
CID 20663744
[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
CID 22184325
2-(3-Oxobutanoyloxy)ethyl 2-methylidenepentanoate
CID 22608997
Cyclopentyl 2-[(2-acetyloxyacetyl)oxymethyl]prop-2-enoate
CID 23572128
(4-Oxooxan-3-yl) 2-methylprop-2-enoate
CID 53377883
(2-Acetyloxy-3-oxobutyl) 2-methylprop-2-enoate
CID 57060832
(1-Hydroxy-4-methyl-3-oxopent-4-en-2-yl) 4-hydroxy-2-methylidenebutanoate
CID 57260596
(1-Hydroxy-4-methyl-3-oxopent-4-en-2-yl) 2-methylprop-2-enoate
CID 57661256
[2-(2-Cyclopentyloxy-2-oxoethoxy)-2-oxoethyl] 2-methylprop-2-enoate
CID 58105908

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate (CID 157492699) is [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)CCOC(=O)C(C)OC(=O)C(=C)C.
What is the InChIKey of [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is SDSRBQQYHYEPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-8(2)11(14)6-7-17-13(16)10(5)18-12(15)9(3)4/h10H,1,3,6-7H2,2,4-5H3.
What are the key properties of [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate?
[1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-3-oxopent-4-enoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 157492699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).