(2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane

C15H24O5 — CID 146018795

IUPAC(2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane
SMILESC=CCO[C@@H]1[C@@H](OCC=C)[C@@H](OC)OC[C@H]1OCC=C
InChIInChI=1S/C15H24O5/c1-5-8-17-12-11-20-15(16-4)14(19-10-7-3)13(12)18-9-6-2/h5-7,12-15H,1-3,8-11H2,4H3/t12-,13+,14-,15+/m1/s1
InChIKeyDIHDQLSFHGZIBE-BARDWOONSA-N
MW284.35 g/mol
LogP1.70
Rot. Bonds10

About (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane

(2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane (PubChem CID 146018795) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane
PubChem CID146018795
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane
SMILESC=CCO[C@@H]1[C@@H](OCC=C)[C@@H](OC)OC[C@H]1OCC=C
InChIInChI=1S/C15H24O5/c1-5-8-17-12-11-20-15(16-4)14(19-10-7-3)13(12)18-9-6-2/h5-7,12-15H,1-3,8-11H2,4H3/t12-,13+,14-,15+/m1/s1
InChIKeyDIHDQLSFHGZIBE-BARDWOONSA-N
XLogP1.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane?
The IUPAC name of (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane (CID 146018795) is (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane.
What is the SMILES notation for (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane?
The canonical SMILES for (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane is C=CCO[C@@H]1[C@@H](OCC=C)[C@@H](OC)OC[C@H]1OCC=C.
What is the InChIKey of (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane?
The InChIKey is DIHDQLSFHGZIBE-BARDWOONSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-8-17-12-11-20-15(16-4)14(19-10-7-3)13(12)18-9-6-2/h5-7,12-15H,1-3,8-11H2,4H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane?
(2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane has a molecular weight of 284.35 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-methoxy-3,4,5-tris(prop-2-enoxy)oxane is sourced from PubChem (CID 146018795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).