[2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

C16H22O6 — CID 20688156

IUPAC[2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C16H22O6/c1-10(2)13(17)20-8-16(7,22-15(19)12(5)6)9-21-14(18)11(3)4/h1,3,5,8-9H2,2,4,6-7H3
InChIKeyMHRKKWPIAGBHHO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.10
Rot. Bonds8

About [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

[2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (PubChem CID 20688156) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
PubChem CID20688156
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name[2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C16H22O6/c1-10(2)13(17)20-8-16(7,22-15(19)12(5)6)9-21-14(18)11(3)4/h1,3,5,8-9H2,2,4,6-7H3
InChIKeyMHRKKWPIAGBHHO-UHFFFAOYSA-N
XLogP2.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (CID 20688156) is [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The InChIKey is MHRKKWPIAGBHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-10(2)13(17)20-8-16(7,22-15(19)12(5)6)9-21-14(18)11(3)4/h1,3,5,8-9H2,2,4,6-7H3.
What are the key properties of [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
[2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate has a molecular weight of 310.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2,3-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20688156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).