2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate

C48H76O16 — CID 91932560

IUPAC2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=C(C)C(=O)OCC(O)CO
InChIInChI=1S/C18H26O6.C10H16O2.C8H14O2.C7H12O4.C5H8O2/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7;1-8(2)10(11)12-9-6-4-3-5-7-9;1-6(2)5-10-8(9)7(3)4;1-5(2)7(10)11-4-6(9)3-8;1-4(2)5(6)7-3/h2,4,6,8-11H2,1,3,5,7H3;9H,1,3-7H2,2H3;6H,3,5H2,1-2,4H3;6,8-9H,1,3-4H2,2H3;1H2,2-3H3
InChIKeyFYMCYWDMFXOYKO-UHFFFAOYSA-N
MW909.12 g/mol
LogP7.14
Rot. Bonds20

About 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate

2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate (PubChem CID 91932560) has the molecular formula C48H76O16 and a molecular weight of 909.12 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
PubChem CID91932560
Molecular FormulaC48H76O16
Molecular Weight909.12 g/mol
Exact Mass908.51
IUPAC Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=C(C)C(=O)OCC(O)CO
InChIInChI=1S/C18H26O6.C10H16O2.C8H14O2.C7H12O4.C5H8O2/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7;1-8(2)10(11)12-9-6-4-3-5-7-9;1-6(2)5-10-8(9)7(3)4;1-5(2)7(10)11-4-6(9)3-8;1-4(2)5(6)7-3/h2,4,6,8-11H2,1,3,5,7H3;9H,1,3-7H2,2H3;6H,3,5H2,1-2,4H3;6,8-9H,1,3-4H2,2H3;1H2,2-3H3
InChIKeyFYMCYWDMFXOYKO-UHFFFAOYSA-N
XLogP7.14
TPSA224.56 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.12
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate with MolForge

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Related Compounds

cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
benzyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 70554494
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
2,2-bis(hydroxymethyl)butyl 2-methylprop-2-enoate;propane-1,2-diol
CID 87376930
[2-(2,3-dihydroxypropoxymethyl)-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
CID 87773582
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cyclopentyl acetate;methyl 2-methylprop-2-enoate
CID 174985649
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate (CID 91932560) is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC1CCCCC1.C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=C(C)C(=O)OCC(O)CO.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
The InChIKey is FYMCYWDMFXOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6.C10H16O2.C8H14O2.C7H12O4.C5H8O2/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7;1-8(2)10(11)12-9-6-4-3-5-7-9;1-6(2)5-10-8(9)7(3)4;1-5(2)7(10)11-4-6(9)3-8;1-4(2)5(6)7-3/h2,4,6,8-11H2,1,3,5,7H3;9H,1,3-7H2,2H3;6H,3,5H2,1-2,4H3;6,8-9H,1,3-4H2,2H3;1H2,2-3H3.
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate?
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate has a molecular weight of 909.12 g/mol, XLogP of 7.14, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2,3-dihydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 91932560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).