methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate

C22H32O3 — CID 22124266

IUPACmethyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
SMILESCOC(=O)CC1(CC(=O)Cc2c(C)cc(C)cc2C)CCCC(C)C1
InChIInChI=1S/C22H32O3/c1-15-7-6-8-22(12-15,14-21(24)25-5)13-19(23)11-20-17(3)9-16(2)10-18(20)4/h9-10,15H,6-8,11-14H2,1-5H3
InChIKeyLUNOVTBOGSXCGK-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.87
Rot. Bonds6

About methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate

methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate (PubChem CID 22124266) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
PubChem CID22124266
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Namemethyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
SMILESCOC(=O)CC1(CC(=O)Cc2c(C)cc(C)cc2C)CCCC(C)C1
InChIInChI=1S/C22H32O3/c1-15-7-6-8-22(12-15,14-21(24)25-5)13-19(23)11-20-17(3)9-16(2)10-18(20)4/h9-10,15H,6-8,11-14H2,1-5H3
InChIKeyLUNOVTBOGSXCGK-UHFFFAOYSA-N
XLogP4.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3,4-dimethyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124244
methyl 2-[1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cycloheptyl]acetate
CID 22124271
methyl 2-[4-methoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124248
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 2-[4-ethoxy-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124247
methyl 3-methyl-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 22904414
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
CID 67668185
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
CID 131029302
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 64514526
1-(1-bicyclo[4.1.0]heptanyl)-2-(2,4,6-trimethylphenyl)ethanone;carbonic acid
CID 70256977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
The IUPAC name of methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate (CID 22124266) is methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate is COC(=O)CC1(CC(=O)Cc2c(C)cc(C)cc2C)CCCC(C)C1.
What is the InChIKey of methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
The InChIKey is LUNOVTBOGSXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-15-7-6-8-22(12-15,14-21(24)25-5)13-19(23)11-20-17(3)9-16(2)10-18(20)4/h9-10,15H,6-8,11-14H2,1-5H3.
What are the key properties of methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate?
methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate has a molecular weight of 344.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate is sourced from PubChem (CID 22124266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).