(2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

C15H22O5 — CID 20689842

IUPAC(2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=C(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C(=O)C(=C)C
InChIInChI=1S/C15H22O5/c1-9(2)11(16)14(5,6)20-13(18)15(7,8)19-12(17)10(3)4/h1,3H2,2,4-8H3
InChIKeyKEWPGQVYTBTVGL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.35
Rot. Bonds6

About (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate

(2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (PubChem CID 20689842) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.

Molecular Properties

Compound Name(2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
PubChem CID20689842
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
SMILESC=C(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C(=O)C(=C)C
InChIInChI=1S/C15H22O5/c1-9(2)11(16)14(5,6)20-13(18)15(7,8)19-12(17)10(3)4/h1,3H2,2,4-8H3
InChIKeyKEWPGQVYTBTVGL-UHFFFAOYSA-N
XLogP2.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The IUPAC name of (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate (CID 20689842) is (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate.
What is the SMILES notation for (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The canonical SMILES for (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is C=C(C)C(=O)OC(C)(C)C(=O)OC(C)(C)C(=O)C(=C)C.
What is the InChIKey of (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
The InChIKey is KEWPGQVYTBTVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9(2)11(16)14(5,6)20-13(18)15(7,8)19-12(17)10(3)4/h1,3H2,2,4-8H3.
What are the key properties of (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate?
(2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate has a molecular weight of 282.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-3-oxopent-4-en-2-yl) 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate is sourced from PubChem (CID 20689842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).