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

C37H56O18 — CID 59702807

IUPAC2-[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
SMILESC=CC(=O)OCCOCC(COCCO)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChIInChI=1S/C37H56O18/c1-6-31(39)51-18-13-45-24-36(23-44-12-11-38,25-46-14-19-52-32(40)7-2)29-50-30-37(26-47-15-20-53-33(41)8-3,27-48-16-21-54-34(42)9-4)28-49-17-22-55-35(43)10-5/h6-10,38H,1-5,11-30H2
InChIKeyNUTSZHRAGLTACP-UHFFFAOYSA-N
MW788.84 g/mol
LogP0.71
Rot. Bonds38

About 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

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 (PubChem CID 59702807) has the molecular formula C37H56O18 and a molecular weight of 788.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID59702807
Molecular FormulaC37H56O18
Molecular Weight788.84 g/mol
Exact Mass788.35
IUPAC Name2-[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
SMILESC=CC(=O)OCCOCC(COCCO)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChIInChI=1S/C37H56O18/c1-6-31(39)51-18-13-45-24-36(23-44-12-11-38,25-46-14-19-52-32(40)7-2)29-50-30-37(26-47-15-20-53-33(41)8-3,27-48-16-21-54-34(42)9-4)28-49-17-22-55-35(43)10-5/h6-10,38H,1-5,11-30H2
InChIKeyNUTSZHRAGLTACP-UHFFFAOYSA-N
XLogP0.71
TPSA216.34 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.84
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

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-(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?
The IUPAC name of 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 (CID 59702807) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)OCCOCC(COCCO)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C.
What is the InChIKey of 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?
The InChIKey is NUTSZHRAGLTACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56O18/c1-6-31(39)51-18-13-45-24-36(23-44-12-11-38,25-46-14-19-52-32(40)7-2)29-50-30-37(26-47-15-20-53-33(41)8-3,27-48-16-21-54-34(42)9-4)28-49-17-22-55-35(43)10-5/h6-10,38H,1-5,11-30H2.
What are the key properties of 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?
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 has a molecular weight of 788.84 g/mol, XLogP of 0.71, 38 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59702807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).