(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

C26H44O6 — CID 11751362

IUPAC(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
SMILESCCC[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H](CCC)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C
InChIInChI=1S/C26H44O6/c1-7-9-19-15(3)21-11-13-24(29-21)18(6)26(28)32-20(10-8-2)16(4)22-12-14-23(30-22)17(5)25(27)31-19/h15-24H,7-14H2,1-6H3/t15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m0/s1
InChIKeyRYWMDDUILMBGEQ-UDLXJMDSSA-N
MW452.63 g/mol
LogP5.06
Rot. Bonds4

About (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione (PubChem CID 11751362) has the molecular formula C26H44O6 and a molecular weight of 452.63 g/mol. Its IUPAC name is (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione.

Molecular Properties

Compound Name(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
PubChem CID11751362
Molecular FormulaC26H44O6
Molecular Weight452.63 g/mol
Exact Mass452.31
IUPAC Name(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
SMILESCCC[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H](CCC)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C
InChIInChI=1S/C26H44O6/c1-7-9-19-15(3)21-11-13-24(29-21)18(6)26(28)32-20(10-8-2)16(4)22-12-14-23(30-22)17(5)25(27)31-19/h15-24H,7-14H2,1-6H3/t15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m0/s1
InChIKeyRYWMDDUILMBGEQ-UDLXJMDSSA-N
XLogP5.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The IUPAC name of (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione (CID 11751362) is (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione.
What is the SMILES notation for (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The canonical SMILES for (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione is CCC[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H](CCC)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C.
What is the InChIKey of (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The InChIKey is RYWMDDUILMBGEQ-UDLXJMDSSA-N. The full InChI is InChI=1S/C26H44O6/c1-7-9-19-15(3)21-11-13-24(29-21)18(6)26(28)32-20(10-8-2)16(4)22-12-14-23(30-22)17(5)25(27)31-19/h15-24H,7-14H2,1-6H3/t15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m0/s1.
What are the key properties of (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
(1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione has a molecular weight of 452.63 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R,7S,10R,11S,14S,15R,16S)-2,6,11,15-tetramethyl-5,14-dipropyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione is sourced from PubChem (CID 11751362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).