2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate

C22H34O9 — CID 20708515

IUPAC2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(C)(COCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C
InChIInChI=1S/C22H34O9/c1-16(2)19(23)28-10-8-26-14-22(7,31-13-12-30-21(25)18(5)6)15-27-9-11-29-20(24)17(3)4/h1,3,5,8-15H2,2,4,6-7H3
InChIKeyDCIUGZPDJPOQFR-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.15
Rot. Bonds17

About 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate

2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate (PubChem CID 20708515) has the molecular formula C22H34O9 and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate
PubChem CID20708515
Molecular FormulaC22H34O9
Molecular Weight442.51 g/mol
Exact Mass442.22
IUPAC Name2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(C)(COCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C
InChIInChI=1S/C22H34O9/c1-16(2)19(23)28-10-8-26-14-22(7,31-13-12-30-21(25)18(5)6)15-27-9-11-29-20(24)17(3)4/h1,3,5,8-15H2,2,4,6-7H3
InChIKeyDCIUGZPDJPOQFR-UHFFFAOYSA-N
XLogP2.15
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate (CID 20708515) is 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC(C)(COCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is DCIUGZPDJPOQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O9/c1-16(2)19(23)28-10-8-26-14-22(7,31-13-12-30-21(25)18(5)6)15-27-9-11-29-20(24)17(3)4/h1,3,5,8-15H2,2,4,6-7H3.
What are the key properties of 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate?
2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 442.51 g/mol, XLogP of 2.15, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2,3-bis[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20708515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).