(1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane

C15H22O5 — CID 102018984

IUPAC(1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane
SMILESC=CCO[C@@H]1[C@H](OCC=C)[C@@H]2OC[C@@H](O2)[C@H]1OCC=C
InChIInChI=1S/C15H22O5/c1-4-7-16-12-11-10-19-15(20-11)14(18-9-6-3)13(12)17-8-5-2/h4-6,11-15H,1-3,7-10H2/t11-,12-,13+,14+,15-/m1/s1
InChIKeyCGPOORDXQRSNCP-NIFZNCRKSA-N
MW282.34 g/mol
LogP1.46
Rot. Bonds9

About (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane

(1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 102018984) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane
PubChem CID102018984
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane
SMILESC=CCO[C@@H]1[C@H](OCC=C)[C@@H]2OC[C@@H](O2)[C@H]1OCC=C
InChIInChI=1S/C15H22O5/c1-4-7-16-12-11-10-19-15(20-11)14(18-9-6-3)13(12)17-8-5-2/h4-6,11-15H,1-3,7-10H2/t11-,12-,13+,14+,15-/m1/s1
InChIKeyCGPOORDXQRSNCP-NIFZNCRKSA-N
XLogP1.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane with MolForge

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Related Compounds

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Monoallyl sucrose
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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane (CID 102018984) is (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane is C=CCO[C@@H]1[C@H](OCC=C)[C@@H]2OC[C@@H](O2)[C@H]1OCC=C.
What is the InChIKey of (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is CGPOORDXQRSNCP-NIFZNCRKSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-7-16-12-11-10-19-15(20-11)14(18-9-6-3)13(12)17-8-5-2/h4-6,11-15H,1-3,7-10H2/t11-,12-,13+,14+,15-/m1/s1.
What are the key properties of (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
(1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 282.34 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 102018984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).