2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate

C19H28O6 — CID 23338104

IUPAC2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C19H28O6/c1-8-9-19(10-23-16(20)13(2)3,11-24-17(21)14(4)5)12-25-18(22)15(6)7/h2,4,6,8-12H2,1,3,5,7H3
InChIKeyZZYZXHWVEYEDLH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.13
Rot. Bonds11

About 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate

2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate (PubChem CID 23338104) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate
PubChem CID23338104
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C19H28O6/c1-8-9-19(10-23-16(20)13(2)3,11-24-17(21)14(4)5)12-25-18(22)15(6)7/h2,4,6,8-12H2,1,3,5,7H3
InChIKeyZZYZXHWVEYEDLH-UHFFFAOYSA-N
XLogP3.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.13
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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Related Compounds

Trimethylolpropane Trimethacrylate
CID 18689
Pentaerythritol tetramethacrylate
CID 76740
(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
4-Methylpentyl methacrylate
CID 82199
2,2-Bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 88630598
(3-Ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 170853259
2-Propenoic acid, 2-methyl-, 1,1'-[2-methyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CID 90585
2-Propenoic acid, 2-methyl-, 1,1'-(2,2,4,4-tetramethyl-1,3-cyclobutanediyl) ester
CID 104350
2,2-Dimethylpentyl methacrylate
CID 106017
2-Propenoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester
CID 114488
2,2-Bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;butyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 170853004

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate?
The IUPAC name of 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate (CID 23338104) is 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate?
The canonical SMILES for 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate?
The InChIKey is ZZYZXHWVEYEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c1-8-9-19(10-23-16(20)13(2)3,11-24-17(21)14(4)5)12-25-18(22)15(6)7/h2,4,6,8-12H2,1,3,5,7H3.
What are the key properties of 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate?
2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate has a molecular weight of 352.43 g/mol, XLogP of 3.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-2-enoyloxymethyl)pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 23338104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).