ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C30H54O4 — CID 173009937

IUPACethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H14O4.10C2H4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;10*1-2/h1,3,5-6H2,2,4H3;10*1-2H2
InChIKeyDFPWLUMZTGSWRB-UHFFFAOYSA-N
MW478.76 g/mol
LogP9.25
Rot. Bonds5

About ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 173009937) has the molecular formula C30H54O4 and a molecular weight of 478.76 g/mol. Its IUPAC name is ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID173009937
Molecular FormulaC30H54O4
Molecular Weight478.76 g/mol
Exact Mass478.40
IUPAC Nameethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H14O4.10C2H4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;10*1-2/h1,3,5-6H2,2,4H3;10*1-2H2
InChIKeyDFPWLUMZTGSWRB-UHFFFAOYSA-N
XLogP9.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527

Frequently Asked Questions

What is the IUPAC name of ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 173009937) is ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is DFPWLUMZTGSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.10C2H4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;10*1-2/h1,3,5-6H2,2,4H3;10*1-2H2.
What are the key properties of ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 478.76 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 173009937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).