2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate

C23H36O10 — CID 176764617

IUPAC2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCCC(C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChIInChI=1S/C23H36O10/c1-5-20(24)31-15-12-28-11-10-27-9-8-23(4,18-29-13-16-32-21(25)6-2)19-30-14-17-33-22(26)7-3/h5-7H,1-3,8-19H2,4H3
InChIKeyMTWYPYZPJHGRHG-UHFFFAOYSA-N
MW472.53 g/mol
LogP1.64
Rot. Bonds22

About 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate

2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate (PubChem CID 176764617) has the molecular formula C23H36O10 and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate
PubChem CID176764617
Molecular FormulaC23H36O10
Molecular Weight472.53 g/mol
Exact Mass472.23
IUPAC Name2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCCC(C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChIInChI=1S/C23H36O10/c1-5-20(24)31-15-12-28-11-10-27-9-8-23(4,18-29-13-16-32-21(25)6-2)19-30-14-17-33-22(26)7-3/h5-7H,1-3,8-19H2,4H3
InChIKeyMTWYPYZPJHGRHG-UHFFFAOYSA-N
XLogP1.64
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Related Compounds

2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
3,3-difluorobutyl prop-2-enoate
CID 139844098
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2,2-bis(2-propanoyloxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl propanoate
CID 89084261
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
2-[2-(2-hydroxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]propoxy]ethyl prop-2-enoate;bis(2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate)
CID 159661893
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-hydroxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 158223909
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate (CID 176764617) is 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCCC(C)(COCCOC(=O)C=C)COCCOC(=O)C=C.
What is the InChIKey of 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate?
The InChIKey is MTWYPYZPJHGRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O10/c1-5-20(24)31-15-12-28-11-10-27-9-8-23(4,18-29-13-16-32-21(25)6-2)19-30-14-17-33-22(26)7-3/h5-7H,1-3,8-19H2,4H3.
What are the key properties of 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate?
2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate has a molecular weight of 472.53 g/mol, XLogP of 1.64, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 176764617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).