2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C22H30O9 — CID 159875861

IUPAC2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)C(COCCOCCOCCOC(=O)C(=C)C)(OC(=O)C(=C)C)C(=O)C=C
InChIInChI=1S/C22H30O9/c1-7-18(23)22(19(24)8-2,31-21(26)17(5)6)15-29-12-11-27-9-10-28-13-14-30-20(25)16(3)4/h7-8H,1-3,5,9-15H2,4,6H3
InChIKeyHKGVKUBCRGORCI-UHFFFAOYSA-N
MW438.47 g/mol
LogP1.52
Rot. Bonds18

About 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 159875861) has the molecular formula C22H30O9 and a molecular weight of 438.47 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID159875861
Molecular FormulaC22H30O9
Molecular Weight438.47 g/mol
Exact Mass438.19
IUPAC Name2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)C(COCCOCCOCCOC(=O)C(=C)C)(OC(=O)C(=C)C)C(=O)C=C
InChIInChI=1S/C22H30O9/c1-7-18(23)22(19(24)8-2,31-21(26)17(5)6)15-29-12-11-27-9-10-28-13-14-30-20(25)16(3)4/h7-8H,1-3,5,9-15H2,4,6H3
InChIKeyHKGVKUBCRGORCI-UHFFFAOYSA-N
XLogP1.52
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

Analyze 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-ethyl-2-methoxy-3-oxopent-4-enoate
CID 146164309
[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
CID 22184325
[3-Acetyl-4-(4-acetyl-4-acetyloxyhexa-1,5-dien-3-yl)oxyhexa-1,5-dien-3-yl] acetate
CID 88729508
2-(3,5-Dimethyl-4-oxohex-5-en-3-yl)oxyethyl 2-methylprop-2-enoate
CID 89092603
1-(3-Methyl-4-oxohex-5-en-3-yl)oxypropan-2-yl prop-2-enoate
CID 89257354
But-3-enoyl 2-but-3-enoyloxy-2-(methoxymethyl)-3-(2-methylprop-2-enoyloxy)propanoate
CID 90826399
[2-Methyl-1-(3-methyl-4-oxohex-5-en-3-yl)oxypropan-2-yl] prop-2-enoate
CID 123507151
1-O-[4-(2-methylidene-3-oxobutoxy)butyl] 2-O-(4-prop-2-enoyloxybutyl) oxalate
CID 124007835
4-Ethyl-4-(2-ethyl-2-prop-2-enoxybutoxy)hex-1-en-3-one
CID 130183964
[2-(2-Methylprop-2-enoyloxymethyl)-2-(2-oxobut-3-enoxy)butyl] 2-methylprop-2-enoate
CID 130252606
[2-(3,5-Dimethyl-4-oxohex-5-en-3-yl)oxy-3-methylpentan-3-yl] 2-methylprop-2-enoate
CID 130470167
3-O-[1-(4-ethoxycarbonyl-2-methyl-3-oxopent-4-en-2-yl)oxy-2-methylpropan-2-yl] 1-O-ethyl 2-methylidenepropanedioate
CID 132206397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 159875861) is 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=CC(=O)C(COCCOCCOCCOC(=O)C(=C)C)(OC(=O)C(=C)C)C(=O)C=C.
What is the InChIKey of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is HKGVKUBCRGORCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O9/c1-7-18(23)22(19(24)8-2,31-21(26)17(5)6)15-29-12-11-27-9-10-28-13-14-30-20(25)16(3)4/h7-8H,1-3,5,9-15H2,4,6H3.
What are the key properties of 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 438.47 g/mol, XLogP of 1.52, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 159875861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).