1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate

C13H20O4 — CID 20663744

IUPAC1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOCC(C)OC(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-9(2)12(14)6-7-16-8-11(5)17-13(15)10(3)4/h11H,1,3,6-8H2,2,4-5H3
InChIKeySCCDEGRCJBZPOD-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.05
Rot. Bonds8

About 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate

1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 20663744) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID20663744
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOCC(C)OC(=O)C(=C)C
InChIInChI=1S/C13H20O4/c1-9(2)12(14)6-7-16-8-11(5)17-13(15)10(3)4/h11H,1,3,6-8H2,2,4-5H3
InChIKeySCCDEGRCJBZPOD-UHFFFAOYSA-N
XLogP2.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-3-oxopent-4-enoxy)propan-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

2-Methacryloylethyl methacrylate
CID 18739125
(4-Methyl-3-oxopent-4-enyl) prop-2-enoate
CID 102343914
1-(2-Methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate
CID 23437362
2-(2-Methylprop-2-enoyloxy)propyl 3-oxobutanoate
CID 101149887
Ethyl 2-methylidene-3-pentylperoxybutanoate
CID 10988061
Ethyl 3-acetyloxy-2-methylidenepentanoate
CID 11171634
1-O-ethyl 3-O-(2-methoxycarbonylpent-1-en-3-yl) propanedioate
CID 10264475
2-Pentanone, 4-(acetyloxy)-3-methylene-
CID 10558847
2-(2-Methylidenepentanoyloxy)ethyl 2-methylidenepentanoate
CID 20201294
(2,4-Dimethyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 20663746
2-(2-Methylprop-2-enoyloxy)pentyl 2-methylprop-2-enoate
CID 20757992
2-(2-Methylprop-2-enoyloxy)ethyl 3-oxopentanoate
CID 21027976

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate (CID 20663744) is 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)CCOCC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is SCCDEGRCJBZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(2)12(14)6-7-16-8-11(5)17-13(15)10(3)4/h11H,1,3,6-8H2,2,4-5H3.
What are the key properties of 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate?
1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopent-4-enoxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 20663744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).