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

C23H38O6 — CID 11177351

IUPAC(1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-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](C[C@@H](C)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2
InChIInChI=1S/C23H38O6/c1-6-7-18-14(3)19-10-11-21(28-19)16(5)22(24)26-13(2)12-17-8-9-20(27-17)15(4)23(25)29-18/h13-21H,6-12H2,1-5H3/t13-,14+,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyTUEIVMZOUQSYJA-XFHAOOBSSA-N
MW410.55 g/mol
LogP4.04
Rot. Bonds2

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

(1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione (PubChem CID 11177351) has the molecular formula C23H38O6 and a molecular weight of 410.55 g/mol. Its IUPAC name is (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione.

Molecular Properties

Compound Name(1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
PubChem CID11177351
Molecular FormulaC23H38O6
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC Name(1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-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](C[C@@H](C)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2
InChIInChI=1S/C23H38O6/c1-6-7-18-14(3)19-10-11-21(28-19)16(5)22(24)26-13(2)12-17-8-9-20(27-17)15(4)23(25)29-18/h13-21H,6-12H2,1-5H3/t13-,14+,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyTUEIVMZOUQSYJA-XFHAOOBSSA-N
XLogP4.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-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 (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The IUPAC name of (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione (CID 11177351) is (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione.
What is the SMILES notation for (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The canonical SMILES for (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-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](C[C@@H](C)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2.
What is the InChIKey of (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The InChIKey is TUEIVMZOUQSYJA-XFHAOOBSSA-N. The full InChI is InChI=1S/C23H38O6/c1-6-7-18-14(3)19-10-11-21(28-19)16(5)22(24)26-13(2)12-17-8-9-20(27-17)15(4)23(25)29-18/h13-21H,6-12H2,1-5H3/t13-,14+,15+,16+,17-,18+,19+,20+,21-/m1/s1.
What are the key properties of (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
(1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione has a molecular weight of 410.55 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6R,7S,10R,11S,14R,16R)-2,6,11,14-tetramethyl-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione is sourced from PubChem (CID 11177351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).