2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate

C20H31NO8 — CID 10047362

IUPAC2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NOC(=O)C(=C)C.C=C(C)C(=O)OC.C=C(C)C(=O)OCCOC
InChIInChI=1S/C8H11NO3.C7H12O3.C5H8O2/c1-5(2)7(10)9-12-8(11)6(3)4;1-6(2)7(8)10-5-4-9-3;1-4(2)5(6)7-3/h1,3H2,2,4H3,(H,9,10);1,4-5H2,2-3H3;1H2,2-3H3
InChIKeyRYSCIXXKASRBFL-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.20
Rot. Bonds7

About 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate

2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate (PubChem CID 10047362) has the molecular formula C20H31NO8 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
PubChem CID10047362
Molecular FormulaC20H31NO8
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NOC(=O)C(=C)C.C=C(C)C(=O)OC.C=C(C)C(=O)OCCOC
InChIInChI=1S/C8H11NO3.C7H12O3.C5H8O2/c1-5(2)7(10)9-12-8(11)6(3)4;1-6(2)7(8)10-5-4-9-3;1-4(2)5(6)7-3/h1,3H2,2,4H3,(H,9,10);1,4-5H2,2-3H3;1H2,2-3H3
InChIKeyRYSCIXXKASRBFL-UHFFFAOYSA-N
XLogP2.20
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 131728346
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate?
The IUPAC name of 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate (CID 10047362) is 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate.
What is the SMILES notation for 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate?
The canonical SMILES for 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate is C=C(C)C(=O)NOC(=O)C(=C)C.C=C(C)C(=O)OC.C=C(C)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate?
The InChIKey is RYSCIXXKASRBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.C7H12O3.C5H8O2/c1-5(2)7(10)9-12-8(11)6(3)4;1-6(2)7(8)10-5-4-9-3;1-4(2)5(6)7-3/h1,3H2,2,4H3,(H,9,10);1,4-5H2,2-3H3;1H2,2-3H3.
What are the key properties of 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate?
2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate has a molecular weight of 413.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate is sourced from PubChem (CID 10047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).