2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

C23H34O8 — CID 88630598

IUPAC2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C18H26O6.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;1-4(2)5(6)7-3/h2,4,6,8-11H2,1,3,5,7H3;1H2,2-3H3
InChIKeyWTLQANSJHJGOAO-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.48
Rot. Bonds11

About 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 88630598) has the molecular formula C23H34O8 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID88630598
Molecular FormulaC23H34O8
Molecular Weight438.52 g/mol
Exact Mass438.23
IUPAC Name2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C18H26O6.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;1-4(2)5(6)7-3/h2,4,6,8-11H2,1,3,5,7H3;1H2,2-3H3
InChIKeyWTLQANSJHJGOAO-UHFFFAOYSA-N
XLogP3.48
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

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CID 18689
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CID 115157
Neopentyl glycol dimethacrylate
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Ditrimethylolpropane tetraacrylate
CID 175585
2-Propenoic acid, 1,1'-((2-ethyl-2-((1-oxo-3-((1-oxo-2-propen-1-yl)oxy)propoxy)methyl)-1,3-propanediyl)bis(oxy(3-oxo-3,1-propanediyl))) ester
CID 3086211
Trimethylolpropane propoxylate triacrylate
CID 4413077
Pentaerythritol tetramethacrylate
CID 76740
2-Butenedioic acid (2Z)-, 1,4-bis[2,2-bis[(2-propen-1-yloxy)methyl]butyl] ester
CID 6432911
(3-Ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 11159706
2-Propenoic acid, 2-methyl-, 2,2-bis[(2-propen-1-yloxy)methyl]butyl ester
CID 88432
2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl bismethacrylate
CID 88215
1,1'-(2-((2,2-Bis(((1-oxo-2-propen-1-yl)oxy)methyl)-3-(1-oxopropoxy)propoxy)methyl)-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) di-2-propenoate
CID 53423509

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 88630598) is 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is WTLQANSJHJGOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6.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;1-4(2)5(6)7-3/h2,4,6,8-11H2,1,3,5,7H3;1H2,2-3H3.
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 438.52 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 88630598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).