(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane

C22H26O2 — CID 98556836

IUPAC(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
SMILESC1C[C@H]2O[C@H]3C[C@@]34[C@H]3[C@@H]5[C@H]6[C@H]7[C@H]8[C@H](CC[C@@H]8O[C@H]8C[C@@]78[C@@H]5[C@H]1[C@@H]32)[C@@H]64
InChIInChI=1S/C22H26O2/c1-3-9-13-7(1)17-15-16-18(22(19(13)15)6-12(22)23-9)8-2-4-10-14(8)20(16)21(17)5-11(21)24-10/h7-20H,1-6H2/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21+,22+/m0/s1
InChIKeyJBQGDLRPBXUISA-RETJELMASA-N
MW322.45 g/mol
LogP3.11
Rot. Bonds

About (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane

(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane (PubChem CID 98556836) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane.

Molecular Properties

Compound Name(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
PubChem CID98556836
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
SMILESC1C[C@H]2O[C@H]3C[C@@]34[C@H]3[C@@H]5[C@H]6[C@H]7[C@H]8[C@H](CC[C@@H]8O[C@H]8C[C@@]78[C@@H]5[C@H]1[C@@H]32)[C@@H]64
InChIInChI=1S/C22H26O2/c1-3-9-13-7(1)17-15-16-18(22(19(13)15)6-12(22)23-9)8-2-4-10-14(8)20(16)21(17)5-11(21)24-10/h7-20H,1-6H2/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21+,22+/m0/s1
InChIKeyJBQGDLRPBXUISA-RETJELMASA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The IUPAC name of (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane (CID 98556836) is (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane.
What is the SMILES notation for (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The canonical SMILES for (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane is C1C[C@H]2O[C@H]3C[C@@]34[C@H]3[C@@H]5[C@H]6[C@H]7[C@H]8[C@H](CC[C@@H]8O[C@H]8C[C@@]78[C@@H]5[C@H]1[C@@H]32)[C@@H]64.
What is the InChIKey of (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The InChIKey is JBQGDLRPBXUISA-RETJELMASA-N. The full InChI is InChI=1S/C22H26O2/c1-3-9-13-7(1)17-15-16-18(22(19(13)15)6-12(22)23-9)8-2-4-10-14(8)20(16)21(17)5-11(21)24-10/h7-20H,1-6H2/t7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,17-,18+,19+,20+,21+,22+/m0/s1.
What are the key properties of (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane has a molecular weight of 322.45 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19R,22S,23S,24S)-6,18-dioxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane is sourced from PubChem (CID 98556836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).