(1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane

C20H22O4 — CID 124920895

IUPAC(1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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]3O[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]8O[C@]87[C@@H]5[C@H]1[C@@H]32)[C@@H]64
InChIInChI=1S/C20H22O4/c1-3-7-9-5(1)13-11-12-14(20(15(9)11)18(21-7)24-20)6-2-4-8-10(6)16(12)19(13)17(22-8)23-19/h5-18H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14-,15+,16+,17-,18-,19+,20+/m1/s1
InChIKeyDANHJNLSSSRGNT-PGKLQPTHSA-N
MW326.39 g/mol
LogP1.78
Rot. Bonds

About (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane

(1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane (PubChem CID 124920895) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane.

Molecular Properties

Compound Name(1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane
PubChem CID124920895
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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]3O[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]8O[C@]87[C@@H]5[C@H]1[C@@H]32)[C@@H]64
InChIInChI=1S/C20H22O4/c1-3-7-9-5(1)13-11-12-14(20(15(9)11)18(21-7)24-20)6-2-4-8-10(6)16(12)19(13)17(22-8)23-19/h5-18H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14-,15+,16+,17-,18-,19+,20+/m1/s1
InChIKeyDANHJNLSSSRGNT-PGKLQPTHSA-N
XLogP1.78
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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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Related Compounds

(1S,2S,3S,4R,5S,6R,9S,11S,12S,13R,14R,15S,16S,17S,20R,22R)-11,22-dimethoxy-10,21-dioxanonacyclo[10.10.0.01,15.02,6.03,14.04,12.05,9.013,17.016,20]docosane
CID 98556200
(1R,2R,3R,5S,7S,10R,11R,12S,13R,14S,15R,17S,19S,22S,23R,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 98556835
(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
(1R,2S,3S,4R,7R,9R,10R,11S,12S,13R,14S,15S,18S,20R,21S,22S)-9,20-dimethoxy-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-10,21-diol
CID 98556867
(1R,2S,3R,4R,7R,9R,10S,11R,12S,13R,14R,17S,19R,20S)-9,19-bis(dimethoxymethyl)-8,18-dioxaoctacyclo[9.9.0.02,9.03,7.04,20.010,14.012,19.013,17]icosane
CID 124924737
(1S,2S,3S,5S,7S,10S,11R,12R,13S,14S,15S,16S,18S,21S,22R,23S)-5-methoxy-15-methyl-6,17-dioxanonacyclo[11.10.0.02,21.03,12.03,16.07,11.010,14.015,23.018,22]tricosane
CID 124911247
(1R,2S,3S,5R,7R,10S,11S,12S,13R,14R,15R,16R,18R,21S,22S,23R)-5-methoxy-15-methyl-6,17-dioxanonacyclo[11.10.0.02,21.03,12.03,16.07,11.010,14.015,23.018,22]tricosane
CID 98556862
1-[(1S,2S,3R,4S,7R,9R,10R,11S,12S,13R,14S,15R,18R,20S,21R,22R)-20-(2,5-dioxopyrrolidin-1-yl)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosan-9-yl]pyrrolidine-2,5-dione
CID 98556843
(1R,2S,3S,4S,7S,10R,11S,12R,13S,14R,15S,18R,21R,22S)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-9,20-dione
CID 124911580
(1R,2R,3R,4S,7S,10S,11S,12R,13S,14R,15S,18R,21S,22S)-10,21-dimethyl-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-9,20-dione
CID 124911582
N'-[(1S,2S,3R,4S,7R,9S,10S,11R,12S,13S,14R,15R,18S,20S,21S,22S)-10,21-dimethyl-20-[[4-(methylamino)-4-oxobutanoyl]amino]-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosan-9-yl]-N-methylbutanediamide
CID 98558281
(1S,2S,3S,4R,6R,9R,10R,11S,12R,13R,14S,15S,17S,20R,21R,22R)-4-methoxy-5,16-dioxanonacyclo[10.10.0.02,20.03,11.03,15.06,10.09,13.014,22.017,21]docosane
CID 124796136

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The IUPAC name of (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane (CID 124920895) is (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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 (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The canonical SMILES for (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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]3O[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]8O[C@]87[C@@H]5[C@H]1[C@@H]32)[C@@H]64.
What is the InChIKey of (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
The InChIKey is DANHJNLSSSRGNT-PGKLQPTHSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-7-9-5(1)13-11-12-14(20(15(9)11)18(21-7)24-20)6-2-4-8-10(6)16(12)19(13)17(22-8)23-19/h5-18H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14-,15+,16+,17-,18-,19+,20+/m1/s1.
What are the key properties of (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[11.11.0.02,22.03,5.03,12.07,11.010,14.015,17.015,24.019,23]tetracosane?
(1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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 326.39 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5R,7R,10R,11S,12R,13S,14S,15S,17R,19S,22R,23S,24R)-4,6,16,18-tetraoxadecacyclo[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 124920895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).