benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate

C93H156O36 — CID 160754242

IUPACbenzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCCCC.C=C(C)C(=O)OCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOCCOCCO.C=C(C)C(=O)OCCOCCOCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOc1ccccc1.C=C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H22O5.C15H28O7.C14H26O7.C13H24O6.C13H24O4.C11H20O5.C11H12O2/c1-14(2)16(17)21-13-11-19-9-8-18-10-12-20-15-6-4-3-5-7-15;1-14(2)15(16)22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17-3;1-13(2)14(16)21-12-11-20-10-9-19-8-7-18-6-5-17-4-3-15;1-12(2)13(14)19-11-10-18-9-8-17-7-6-16-5-4-15-3;1-4-5-6-7-15-8-9-16-10-11-17-13(14)12(2)3;1-10(2)11(12)16-9-8-15-7-6-14-5-4-13-3;1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8-13H2,2H3;1,4-13H2,2-3H3;15H,1,3-12H2,2H3;1,4-11H2,2-3H3;2,4-11H2,1,3H3;1,4-9H2,2-3H3;3-7H,1,8H2,2H3
InChIKeyRXFIDMMAOSETPH-UHFFFAOYSA-N
MW1850.23 g/mol
LogP9.42
Rot. Bonds79

About benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate

benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 160754242) has the molecular formula C93H156O36 and a molecular weight of 1850.23 g/mol. Its IUPAC name is benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebenzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID160754242
Molecular FormulaC93H156O36
Molecular Weight1850.23 g/mol
Exact Mass1849.04
IUPAC Namebenzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOCCCCC.C=C(C)C(=O)OCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOCCOCCO.C=C(C)C(=O)OCCOCCOCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOc1ccccc1.C=C(C)C(=O)OCc1ccccc1
InChIInChI=1S/C16H22O5.C15H28O7.C14H26O7.C13H24O6.C13H24O4.C11H20O5.C11H12O2/c1-14(2)16(17)21-13-11-19-9-8-18-10-12-20-15-6-4-3-5-7-15;1-14(2)15(16)22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17-3;1-13(2)14(16)21-12-11-20-10-9-19-8-7-18-6-5-17-4-3-15;1-12(2)13(14)19-11-10-18-9-8-17-7-6-16-5-4-15-3;1-4-5-6-7-15-8-9-16-10-11-17-13(14)12(2)3;1-10(2)11(12)16-9-8-15-7-6-14-5-4-13-3;1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8-13H2,2H3;1,4-13H2,2-3H3;15H,1,3-12H2,2H3;1,4-11H2,2-3H3;2,4-11H2,1,3H3;1,4-9H2,2-3H3;3-7H,1,8H2,2H3
InChIKeyRXFIDMMAOSETPH-UHFFFAOYSA-N
XLogP9.42
TPSA398.16 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds79
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001850.23
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

[4-(2-butoxyethoxy)phenyl]methyl 2-methylprop-2-enoate
CID 70189318
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 91565565
2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 100958381
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methylprop-2-enoate;furan-2,5-dione;tetradecan-1-ol;tetradecyl 2-methylprop-2-enoate
CID 175471181
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-butoxyethyl acetate;2-phenoxyethyl acetate
CID 159790412
2-(2-hydroxyethoxy)-1-phenoxyethanol;2-methylprop-2-enoic acid;2-phenoxyethyl 2-methylprop-2-enoate
CID 159557307
2-pentoxyethoxybenzene
CID 54431229

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 160754242) is benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCCCC.C=C(C)C(=O)OCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOCCOCCO.C=C(C)C(=O)OCCOCCOCCOCCOCCOC.C=C(C)C(=O)OCCOCCOCCOc1ccccc1.C=C(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RXFIDMMAOSETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5.C15H28O7.C14H26O7.C13H24O6.C13H24O4.C11H20O5.C11H12O2/c1-14(2)16(17)21-13-11-19-9-8-18-10-12-20-15-6-4-3-5-7-15;1-14(2)15(16)22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17-3;1-13(2)14(16)21-12-11-20-10-9-19-8-7-18-6-5-17-4-3-15;1-12(2)13(14)19-11-10-18-9-8-17-7-6-16-5-4-15-3;1-4-5-6-7-15-8-9-16-10-11-17-13(14)12(2)3;1-10(2)11(12)16-9-8-15-7-6-14-5-4-13-3;1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8-13H2,2H3;1,4-13H2,2-3H3;15H,1,3-12H2,2H3;1,4-11H2,2-3H3;2,4-11H2,1,3H3;1,4-9H2,2-3H3;3-7H,1,8H2,2H3.
What are the key properties of benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate?
benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 1850.23 g/mol, XLogP of 9.42, 79 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-pentoxyethoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-phenoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 160754242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).