(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

C22H26O4 — CID 124911580

IUPAC(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
SMILESC[C@]12C(=O)O[C@@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@@H]6OC(=O)[C@]5(C)[C@@H]41)[C@@H]32
InChIInChI=1S/C22H26O4/c1-21-15-7-3-5-10-12(7)18-13(15)14-16(22(18,2)20(24)26-10)8-4-6-9(25-19(21)23)11(8)17(14)21/h7-18H,3-6H2,1-2H3/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17-,18-,21-,22-/m1/s1
InChIKeyQKTJEGVAGWMOHM-CIYAURQXSA-N
MW354.45 g/mol
LogP2.65
Rot. Bonds

About (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

(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 (PubChem CID 124911580) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124911580
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(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
SMILESC[C@]12C(=O)O[C@@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@@H]6OC(=O)[C@]5(C)[C@@H]41)[C@@H]32
InChIInChI=1S/C22H26O4/c1-21-15-7-3-5-10-12(7)18-13(15)14-16(22(18,2)20(24)26-10)8-4-6-9(25-19(21)23)11(8)17(14)21/h7-18H,3-6H2,1-2H3/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17-,18-,21-,22-/m1/s1
InChIKeyQKTJEGVAGWMOHM-CIYAURQXSA-N
XLogP2.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]12C(=O)O[C@@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@H]3[C@H]5[C@@H]6[C@@H](CC[C@@H]6OC(=O)[C@]5(C)[C@@H]41)[C@@H]32.
What is the InChIKey of (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?
The InChIKey is QKTJEGVAGWMOHM-CIYAURQXSA-N. The full InChI is InChI=1S/C22H26O4/c1-21-15-7-3-5-10-12(7)18-13(15)14-16(22(18,2)20(24)26-10)8-4-6-9(25-19(21)23)11(8)17(14)21/h7-18H,3-6H2,1-2H3/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17-,18-,21-,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 354.45 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124911580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).