bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate

C15H18O10 — CID 139775931

IUPACbis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate
SMILESC=C(C)C(=O)OOC(=O)/C=C(\C(=O)OOC(=O)C(=C)C)C(O)C(C)O
InChIInChI=1S/C15H18O10/c1-7(2)13(19)23-22-11(17)6-10(12(18)9(5)16)15(21)25-24-14(20)8(3)4/h6,9,12,16,18H,1,3H2,2,4-5H3/b10-6-
InChIKeyUZYYNWSBNABGNH-POHAHGRESA-N
MW358.30 g/mol
LogP-0.19
Rot. Bonds6

About bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate

bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate (PubChem CID 139775931) has the molecular formula C15H18O10 and a molecular weight of 358.30 g/mol. Its IUPAC name is bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate
PubChem CID139775931
Molecular FormulaC15H18O10
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Namebis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate
SMILESC=C(C)C(=O)OOC(=O)/C=C(\C(=O)OOC(=O)C(=C)C)C(O)C(C)O
InChIInChI=1S/C15H18O10/c1-7(2)13(19)23-22-11(17)6-10(12(18)9(5)16)15(21)25-24-14(20)8(3)4/h6,9,12,16,18H,1,3H2,2,4-5H3/b10-6-
InChIKeyUZYYNWSBNABGNH-POHAHGRESA-N
XLogP-0.19
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate?
The IUPAC name of bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate (CID 139775931) is bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate.
What is the SMILES notation for bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate?
The canonical SMILES for bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate is C=C(C)C(=O)OOC(=O)/C=C(\C(=O)OOC(=O)C(=C)C)C(O)C(C)O.
What is the InChIKey of bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate?
The InChIKey is UZYYNWSBNABGNH-POHAHGRESA-N. The full InChI is InChI=1S/C15H18O10/c1-7(2)13(19)23-22-11(17)6-10(12(18)9(5)16)15(21)25-24-14(20)8(3)4/h6,9,12,16,18H,1,3H2,2,4-5H3/b10-6-.
What are the key properties of bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate?
bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate has a molecular weight of 358.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoyl) (Z)-2-(1,2-dihydroxypropyl)but-2-enediperoxoate is sourced from PubChem (CID 139775931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).