2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate

C23H36O10 — CID 129174711

IUPAC2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCOCC(COCCOC)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChIInChI=1S/C23H36O10/c1-5-20(24)8-9-28-16-23(17-29-11-10-27-4,18-30-12-14-32-21(25)6-2)19-31-13-15-33-22(26)7-3/h5-7H,1-3,8-19H2,4H3
InChIKeyIMPLUFWXIWRZBX-UHFFFAOYSA-N
MW472.53 g/mol
LogP1.29
Rot. Bonds23

About 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate

2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate (PubChem CID 129174711) has the molecular formula C23H36O10 and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
PubChem CID129174711
Molecular FormulaC23H36O10
Molecular Weight472.53 g/mol
Exact Mass472.23
IUPAC Name2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCOCC(COCCOC)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChIInChI=1S/C23H36O10/c1-5-20(24)8-9-28-16-23(17-29-11-10-27-4,18-30-12-14-32-21(25)6-2)19-31-13-15-33-22(26)7-3/h5-7H,1-3,8-19H2,4H3
InChIKeyIMPLUFWXIWRZBX-UHFFFAOYSA-N
XLogP1.29
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate (CID 129174711) is 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate is C=CC(=O)CCOCC(COCCOC)(COCCOC(=O)C=C)COCCOC(=O)C=C.
What is the InChIKey of 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
The InChIKey is IMPLUFWXIWRZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O10/c1-5-20(24)8-9-28-16-23(17-29-11-10-27-4,18-30-12-14-32-21(25)6-2)19-31-13-15-33-22(26)7-3/h5-7H,1-3,8-19H2,4H3.
What are the key properties of 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate?
2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate has a molecular weight of 472.53 g/mol, XLogP of 1.29, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxymethyl)-2-(3-oxopent-4-enoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 129174711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).