(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

C20H32O6 — CID 69026792

IUPAC(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](OCC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C20H32O6/c1-6-11-21-15-16-17(23-12-7-2)18(24-13-8-3)19(25-14-9-4)20(26-16)22-10-5/h6-9,16-20H,1-4,10-15H2,5H3/t16-,17+,18+,19-,20+/m1/s1
InChIKeySZUNTMUPLUVQBE-CXQPBAHBSA-N
MW368.47 g/mol
LogP2.66
Rot. Bonds15

About (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane

(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 69026792) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID69026792
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](OCC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C
InChIInChI=1S/C20H32O6/c1-6-11-21-15-16-17(23-12-7-2)18(24-13-8-3)19(25-14-9-4)20(26-16)22-10-5/h6-9,16-20H,1-4,10-15H2,5H3/t16-,17+,18+,19-,20+/m1/s1
InChIKeySZUNTMUPLUVQBE-CXQPBAHBSA-N
XLogP2.66
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 69026792) is (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@H](OCC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is SZUNTMUPLUVQBE-CXQPBAHBSA-N. The full InChI is InChI=1S/C20H32O6/c1-6-11-21-15-16-17(23-12-7-2)18(24-13-8-3)19(25-14-9-4)20(26-16)22-10-5/h6-9,16-20H,1-4,10-15H2,5H3/t16-,17+,18+,19-,20+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 368.47 g/mol, XLogP of 2.66, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 69026792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).