(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate

C10H14O3 — CID 18739125

IUPAC(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOC(=O)C(=C)C
InChIInChI=1S/C10H14O3/c1-7(2)9(11)5-6-13-10(12)8(3)4/h1,3,5-6H2,2,4H3
InChIKeyMBOKJHQFFPQTCG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.64
Rot. Bonds5

About (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate

(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate (PubChem CID 18739125) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
PubChem CID18739125
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOC(=O)C(=C)C
InChIInChI=1S/C10H14O3/c1-7(2)9(11)5-6-13-10(12)8(3)4/h1,3,5-6H2,2,4H3
InChIKeyMBOKJHQFFPQTCG-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-3-oxopent-4-enyl) carbamate
CID 137378458
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
(4-methyl-3-oxopent-4-enyl) 2-methylpent-2-enoate
CID 91164062
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
3,5-dioxohexyl 2-methylprop-2-enoate
CID 22149505
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate?
The IUPAC name of (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate (CID 18739125) is (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)CCOC(=O)C(=C)C.
What is the InChIKey of (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate?
The InChIKey is MBOKJHQFFPQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(2)9(11)5-6-13-10(12)8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate?
(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 18739125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).