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

C21H32O6 — CID 18392544

IUPAC(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@H](OCC=C)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C21H32O6/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/h6-10,17-21H,1-5,11-16H2/t17-,18-,19+,20-,21-/m1/s1
InChIKeyUCHNNEUPIPRPNU-YMQHIKHWSA-N
MW380.48 g/mol
LogP2.83
Rot. Bonds16

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

(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (PubChem CID 18392544) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
PubChem CID18392544
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@@H](OCC=C)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C21H32O6/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/h6-10,17-21H,1-5,11-16H2/t17-,18-,19+,20-,21-/m1/s1
InChIKeyUCHNNEUPIPRPNU-YMQHIKHWSA-N
XLogP2.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.83
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 (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane (CID 18392544) is (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@@H](OCC=C)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C.
What is the InChIKey of (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
The InChIKey is UCHNNEUPIPRPNU-YMQHIKHWSA-N. The full InChI is InChI=1S/C21H32O6/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/h6-10,17-21H,1-5,11-16H2/t17-,18-,19+,20-,21-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane has a molecular weight of 380.48 g/mol, XLogP of 2.83, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 18392544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).