(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate

C13H20O4 — CID 90337386

IUPAC(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)C(C)OC(=O)C1C
InChIInChI=1S/C13H20O4/c1-7(2)11(14)17-13(8(3)4)9(5)12(15)16-10(13)6/h8-10H,1H2,2-6H3
InChIKeyVRTXEXFEFJQBDB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.08
Rot. Bonds3

About (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate

(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 90337386) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate
PubChem CID90337386
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)C(C)OC(=O)C1C
InChIInChI=1S/C13H20O4/c1-7(2)11(14)17-13(8(3)4)9(5)12(15)16-10(13)6/h8-10H,1H2,2-6H3
InChIKeyVRTXEXFEFJQBDB-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 129013107
(3-methyl-2-oxo-3,4,5,6,7,7a-hexahydro-1-benzofuran-3a-yl) 2-methylprop-2-enoate
CID 118504396
[(3S,4S)-3,4-dimethyl-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 118501645
(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
CID 59460099
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
[5-(2,2-difluoroacetyl)oxy-2-propan-2-yl-2-adamantyl] 2-methylprop-2-enoate
CID 88887731
3-(2,3-dimethyloxiran-2-yl)butan-2-one
CID 24972629
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059
(1-hydroxy-2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 66766626
propan-2-yl 3-(2-methylprop-2-enoyloxy)-2-oxooxolane-3-carboxylate
CID 141024126
(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 90337387
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-3-yl) 2-methylprop-2-enoate
CID 23530364

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate (CID 90337386) is (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)C(C)OC(=O)C1C.
What is the InChIKey of (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is VRTXEXFEFJQBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-7(2)11(14)17-13(8(3)4)9(5)12(15)16-10(13)6/h8-10H,1H2,2-6H3.
What are the key properties of (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate?
(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 90337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).