2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane

C51H88O18 — CID 158724714

IUPAC2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(COC)C(OC)C(OC)C1OC.C=CCOC1OC(COCC)C(OCC)C(OCC)C1OCC.C=CCOCC1OC(OCC=C)C(OCC=C)C(OCC=C)C1OCC=C
InChIInChI=1S/C21H32O6.C17H32O6.C13H24O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5;1-6-11-22-17-16(21-10-5)15(20-9-4)14(19-8-3)13(23-17)12-18-7-2;1-6-7-18-13-12(17-5)11(16-4)10(15-3)9(19-13)8-14-2/h6-10,17-21H,1-5,11-16H2;6,13-17H,1,7-12H2,2-5H3;6,9-13H,1,7-8H2,2-5H3
InChIKeyIKIVMXSWGJGXBF-UHFFFAOYSA-N
MW989.25 g/mol
LogP5.60
Rot. Bonds36

About 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane

2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane (PubChem CID 158724714) has the molecular formula C51H88O18 and a molecular weight of 989.25 g/mol. Its IUPAC name is 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
PubChem CID158724714
Molecular FormulaC51H88O18
Molecular Weight989.25 g/mol
Exact Mass988.60
IUPAC Name2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(COC)C(OC)C(OC)C1OC.C=CCOC1OC(COCC)C(OCC)C(OCC)C1OCC.C=CCOCC1OC(OCC=C)C(OCC=C)C(OCC=C)C1OCC=C
InChIInChI=1S/C21H32O6.C17H32O6.C13H24O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5;1-6-11-22-17-16(21-10-5)15(20-9-4)14(19-8-3)13(23-17)12-18-7-2;1-6-7-18-13-12(17-5)11(16-4)10(15-3)9(19-13)8-14-2/h6-10,17-21H,1-5,11-16H2;6,13-17H,1,7-12H2,2-5H3;6,9-13H,1,7-8H2,2-5H3
InChIKeyIKIVMXSWGJGXBF-UHFFFAOYSA-N
XLogP5.60
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.25
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
The IUPAC name of 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane (CID 158724714) is 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane.
What is the SMILES notation for 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
The canonical SMILES for 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane is C=CCOC1OC(COC)C(OC)C(OC)C1OC.C=CCOC1OC(COCC)C(OCC)C(OCC)C1OCC.C=CCOCC1OC(OCC=C)C(OCC=C)C(OCC=C)C1OCC=C.
What is the InChIKey of 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
The InChIKey is IKIVMXSWGJGXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O6.C17H32O6.C13H24O6/c1-6-11-22-16-17-18(23-12-7-2)19(24-13-8-3)20(25-14-9-4)21(27-17)26-15-10-5;1-6-11-22-17-16(21-10-5)15(20-9-4)14(19-8-3)13(23-17)12-18-7-2;1-6-7-18-13-12(17-5)11(16-4)10(15-3)9(19-13)8-14-2/h6-10,17-21H,1-5,11-16H2;6,13-17H,1,7-12H2,2-5H3;6,9-13H,1,7-8H2,2-5H3.
What are the key properties of 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane has a molecular weight of 989.25 g/mol, XLogP of 5.60, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane;3,4,5-triethoxy-2-(ethoxymethyl)-6-prop-2-enoxyoxane;3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane is sourced from PubChem (CID 158724714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).