[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate

C20H26O4 — CID 22918054

IUPAC[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)C(=C)C)(c1ccccc1)C(C)C
InChIInChI=1S/C20H26O4/c1-14(2)18(21)23-12-20(16(5)6,13-24-19(22)15(3)4)17-10-8-7-9-11-17/h7-11,16H,1,3,12-13H2,2,4-6H3
InChIKeyWFRXCHKVONHQIJ-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.82
Rot. Bonds8

About [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate

[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate (PubChem CID 22918054) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
PubChem CID22918054
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)C(=C)C)(c1ccccc1)C(C)C
InChIInChI=1S/C20H26O4/c1-14(2)18(21)23-12-20(16(5)6,13-24-19(22)15(3)4)17-10-8-7-9-11-17/h7-11,16H,1,3,12-13H2,2,4-6H3
InChIKeyWFRXCHKVONHQIJ-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
(4,4-dihydroxy-3-methyl-4-phenylbutyl) 2-methylprop-2-enoate
CID 150252991
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
benzyl 2-methylprop-2-enoate;[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate
CID 158265907
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
benzoic acid;2,2-bis(hydroxymethyl)butyl 2-methylprop-2-enoate
CID 67276535
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
[4-hydroxy-3-methyl-2,2-bis(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 22182119

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate?
The IUPAC name of [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate (CID 22918054) is [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC(=O)C(=C)C)(c1ccccc1)C(C)C.
What is the InChIKey of [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate?
The InChIKey is WFRXCHKVONHQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-14(2)18(21)23-12-20(16(5)6,13-24-19(22)15(3)4)17-10-8-7-9-11-17/h7-11,16H,1,3,12-13H2,2,4-6H3.
What are the key properties of [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate?
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate has a molecular weight of 330.42 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate is sourced from PubChem (CID 22918054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).