[(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate

C34H48O5 — CID 10369943

IUPAC[(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate
SMILESCCCC[C@@H](OC(=O)c1c(C)cc(C)cc1C)[C@H]1CC[C@H]([C@@H](CCCC)OC(=O)c2c(C)cc(C)cc2C)O1
InChIInChI=1S/C34H48O5/c1-9-11-13-27(38-33(35)31-23(5)17-21(3)18-24(31)6)29-15-16-30(37-29)28(14-12-10-2)39-34(36)32-25(7)19-22(4)20-26(32)8/h17-20,27-30H,9-16H2,1-8H3/t27-,28-,29-,30-/m1/s1
InChIKeyYGFKLGKTNDBRIJ-SKKKGAJSSA-N
MW536.75 g/mol
LogP8.22
Rot. Bonds12

About [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate

[(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate (PubChem CID 10369943) has the molecular formula C34H48O5 and a molecular weight of 536.75 g/mol. Its IUPAC name is [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate
PubChem CID10369943
Molecular FormulaC34H48O5
Molecular Weight536.75 g/mol
Exact Mass536.35
IUPAC Name[(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate
SMILESCCCC[C@@H](OC(=O)c1c(C)cc(C)cc1C)[C@H]1CC[C@H]([C@@H](CCCC)OC(=O)c2c(C)cc(C)cc2C)O1
InChIInChI=1S/C34H48O5/c1-9-11-13-27(38-33(35)31-23(5)17-21(3)18-24(31)6)29-15-16-30(37-29)28(14-12-10-2)39-34(36)32-25(7)19-22(4)20-26(32)8/h17-20,27-30H,9-16H2,1-8H3/t27-,28-,29-,30-/m1/s1
InChIKeyYGFKLGKTNDBRIJ-SKKKGAJSSA-N
XLogP8.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.75
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate with MolForge

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Launch Full Analysis

Related Compounds

[1-(2-methyl-5-oxo-2H-furan-4-yl)-7-[(2S,5R)-5-[(1S)-1,4,5-tris[(2,4,6-trimethylbenzoyl)oxy]nonadecyl]oxolan-2-yl]heptan-2-yl] 2,4,6-trimethylbenzoate
CID 10034280
1-(2,4,6-trimethylbenzoyl)peroxydecyl 2,4,6-trimethylbenzenecarboperoxoate
CID 173266980
butyl 2-cyclohexyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoate;oxophosphanium
CID 162038245
octan-2-yl 2,4,6-trimethylbenzenecarboperoxoate
CID 173267626
octyl 2-(2,4,6-trimethylbenzoyl)hexanoate
CID 87923398
[1-oxo-1-(propylamino)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169670
hexyl 2-cyclohexyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoate;oxophosphanium
CID 161319035
cyclohexyl-dimethyl-[2-(2,4,6-trimethylbenzoyl)oxypropyl]azanium
CID 71523277
[(1R)-1-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]pent-4-ynyl] benzoate
CID 10006193
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
cyclohexyl-dimethyl-[(2S)-2-(2,4,6-trimethylbenzoyl)oxypropyl]azanium iodide
CID 71523494
cyclododecyl 2,4,6-trimethylbenzenecarboperoxoate
CID 173265630

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate (CID 10369943) is [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate is CCCC[C@@H](OC(=O)c1c(C)cc(C)cc1C)[C@H]1CC[C@H]([C@@H](CCCC)OC(=O)c2c(C)cc(C)cc2C)O1.
What is the InChIKey of [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate?
The InChIKey is YGFKLGKTNDBRIJ-SKKKGAJSSA-N. The full InChI is InChI=1S/C34H48O5/c1-9-11-13-27(38-33(35)31-23(5)17-21(3)18-24(31)6)29-15-16-30(37-29)28(14-12-10-2)39-34(36)32-25(7)19-22(4)20-26(32)8/h17-20,27-30H,9-16H2,1-8H3/t27-,28-,29-,30-/m1/s1.
What are the key properties of [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate?
[(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate has a molecular weight of 536.75 g/mol, XLogP of 8.22, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,5R)-5-[(1R)-1-(2,4,6-trimethylbenzoyl)oxypentyl]oxolan-2-yl]pentyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 10369943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).