(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

C23H30O3 — CID 98556862

IUPAC(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
SMILESCO[C@H]1C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@@H]8[C@@H](CC[C@H]8O[C@@H]2[C@]7(C)[C@@H]5[C@@H]2CC[C@@H](O1)[C@@H]24)[C@@H]63
InChIInChI=1S/C23H30O3/c1-22-17-8-3-5-10-14(8)20-15(17)16-18-9-4-6-11(13(9)19(16)22)26-21(22)23(18,20)7-12(24-2)25-10/h8-21H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23+/m1/s1
InChIKeyLFKXUCIOBJQBNK-FBHWAHMVSA-N
MW354.49 g/mol
LogP3.33
Rot. Bonds1

About (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

(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 (PubChem CID 98556862) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID98556862
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name(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
SMILESCO[C@H]1C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@@H]8[C@@H](CC[C@H]8O[C@@H]2[C@]7(C)[C@@H]5[C@@H]2CC[C@@H](O1)[C@@H]24)[C@@H]63
InChIInChI=1S/C23H30O3/c1-22-17-8-3-5-10-14(8)20-15(17)16-18-9-4-6-11(13(9)19(16)22)26-21(22)23(18,20)7-12(24-2)25-10/h8-21H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23+/m1/s1
InChIKeyLFKXUCIOBJQBNK-FBHWAHMVSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(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,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
(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
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,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
(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
(2S,5R)-2-methoxy-5-[(2R,5S)-5-methoxyoxolan-2-yl]oxolane
CID 71424305
(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
(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
(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
4,6-dimethoxy-2,4-dimethyl-3-phosphanyloxan-3-ol
CID 143759548

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@H]1C[C@]23[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@@H]8[C@@H](CC[C@H]8O[C@@H]2[C@]7(C)[C@@H]5[C@@H]2CC[C@@H](O1)[C@@H]24)[C@@H]63.
What is the InChIKey of (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?
The InChIKey is LFKXUCIOBJQBNK-FBHWAHMVSA-N. The full InChI is InChI=1S/C23H30O3/c1-22-17-8-3-5-10-14(8)20-15(17)16-18-9-4-6-11(13(9)19(16)22)26-21(22)23(18,20)7-12(24-2)25-10/h8-21H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 354.49 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 98556862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).