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

C15H22O5 — CID 11448922

IUPAC(1R,2R,3S,4R,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-UXXRCYHCSA-N
MW282.34 g/mol
LogP1.46
Rot. Bonds9

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

(1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 11448922) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane
PubChem CID11448922
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(1R,2R,3S,4R,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-UXXRCYHCSA-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'}

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Related Compounds

Agarose, 2-hydroxy-3-(2-propen-1-yloxy)propyl ether
CID 73557002
allyl(-1)Fruf(b2-1a)Glc
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(2S,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 146018800
(2S,3R,4S,5R,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 10871930
(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 10883420
2,3,4,5-Tetrakis-(allyloxy)-6-allyloxymethyl-tetrahydro-pyran
CID 18359776
(2R,3R,4S,5R,6R)-2,3,4,5-tetrakis(allyloxy)-6-((allyloxy)methyl)tetrahydro-2H-pyran
CID 18392544
(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 69026792
Monoallyl sucrose
CID 3034998
Octa-o-allylsucrose
CID 11115017
2-[3,4-Dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 21932943
(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-7-prop-2-enoxy-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 11426557

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane (CID 11448922) is (1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2R,3S,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2R,3S,4R,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,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is CGPOORDXQRSNCP-UXXRCYHCSA-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,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane?
(1R,2R,3S,4R,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,4R,5R)-2,3,4-tris(prop-2-enoxy)-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 11448922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).