3,5-dioxohexyl 2-methylprop-2-enoate

C10H14O4 — CID 22149505

IUPAC3,5-dioxohexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)CC(C)=O
InChIInChI=1S/C10H14O4/c1-7(2)10(13)14-5-4-9(12)6-8(3)11/h1,4-6H2,2-3H3
InChIKeyQQAOFXIBCQBRAH-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.04
Rot. Bonds6

About 3,5-dioxohexyl 2-methylprop-2-enoate

3,5-dioxohexyl 2-methylprop-2-enoate (PubChem CID 22149505) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,5-dioxohexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,5-dioxohexyl 2-methylprop-2-enoate
PubChem CID22149505
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3,5-dioxohexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)CC(C)=O
InChIInChI=1S/C10H14O4/c1-7(2)10(13)14-5-4-9(12)6-8(3)11/h1,4-6H2,2-3H3
InChIKeyQQAOFXIBCQBRAH-UHFFFAOYSA-N
XLogP1.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 131728346
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-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
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
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxohexyl 2-methylprop-2-enoate?
The IUPAC name of 3,5-dioxohexyl 2-methylprop-2-enoate (CID 22149505) is 3,5-dioxohexyl 2-methylprop-2-enoate.
What is the SMILES notation for 3,5-dioxohexyl 2-methylprop-2-enoate?
The canonical SMILES for 3,5-dioxohexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)CC(C)=O.
What is the InChIKey of 3,5-dioxohexyl 2-methylprop-2-enoate?
The InChIKey is QQAOFXIBCQBRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(2)10(13)14-5-4-9(12)6-8(3)11/h1,4-6H2,2-3H3.
What are the key properties of 3,5-dioxohexyl 2-methylprop-2-enoate?
3,5-dioxohexyl 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxohexyl 2-methylprop-2-enoate is sourced from PubChem (CID 22149505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).