2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate

C24H38O8 — CID 57080398

IUPAC2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate
SMILESC=C(C)C(=O)OCC(OCCOCCO)C(CCCCCC)C(=C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C24H38O8/c1-7-8-9-10-11-20(19(6)24(28)32-23(27)18(4)5)21(16-31-22(26)17(2)3)30-15-14-29-13-12-25/h20-21,25H,2,4,6-16H2,1,3,5H3
InChIKeyMIGYXJRKRDWOHN-UHFFFAOYSA-N
MW454.56 g/mol
LogP3.29
Rot. Bonds18

About 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate

2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate (PubChem CID 57080398) has the molecular formula C24H38O8 and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate
PubChem CID57080398
Molecular FormulaC24H38O8
Molecular Weight454.56 g/mol
Exact Mass454.26
IUPAC Name2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate
SMILESC=C(C)C(=O)OCC(OCCOCCO)C(CCCCCC)C(=C)C(=O)OC(=O)C(=C)C
InChIInChI=1S/C24H38O8/c1-7-8-9-10-11-20(19(6)24(28)32-23(27)18(4)5)21(16-31-22(26)17(2)3)30-15-14-29-13-12-25/h20-21,25H,2,4,6-16H2,1,3,5H3
InChIKeyMIGYXJRKRDWOHN-UHFFFAOYSA-N
XLogP3.29
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate?
The IUPAC name of 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate (CID 57080398) is 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate?
The canonical SMILES for 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate is C=C(C)C(=O)OCC(OCCOCCO)C(CCCCCC)C(=C)C(=O)OC(=O)C(=C)C.
What is the InChIKey of 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate?
The InChIKey is MIGYXJRKRDWOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O8/c1-7-8-9-10-11-20(19(6)24(28)32-23(27)18(4)5)21(16-31-22(26)17(2)3)30-15-14-29-13-12-25/h20-21,25H,2,4,6-16H2,1,3,5H3.
What are the key properties of 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate?
2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate has a molecular weight of 454.56 g/mol, XLogP of 3.29, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 3-[1-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methylprop-2-enoyloxy)ethyl]-2-methylidenenonanoate is sourced from PubChem (CID 57080398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).