methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate

C18H24O3 — CID 67668185

IUPACmethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C18H24O3/c1-12-9-13(2)15(14(3)10-12)11-16(19)18(17(20)21-4)7-5-6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeySYDSLGFRFQFPIN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.46
Rot. Bonds4

About methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate

methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate (PubChem CID 67668185) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
PubChem CID67668185
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Namemethyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCCC1
InChIInChI=1S/C18H24O3/c1-12-9-13(2)15(14(3)10-12)11-16(19)18(17(20)21-4)7-5-6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeySYDSLGFRFQFPIN-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[hydroxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 12027120
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
methyl 2-[1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cycloheptyl]acetate
CID 22124271
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
ethyl 3,4-dimethyl-1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
CID 67668505
3,4-dihydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylic acid
CID 67668004
methyl 1-[2-(2,4,6-trimethylphenyl)propanoyl]cyclohexane-1-carboxylate
CID 67669519
methyl 1-[2-(4-methylphenyl)acetyl]cyclopropane-1-carboxylate
CID 147637134
methyl 3-methyl-1-[[2-(2,4,6-trimethylphenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 22904414
1-(1-bicyclo[4.1.0]heptanyl)-2-(2,4,6-trimethylphenyl)ethanone;carbonic acid
CID 70256977
methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124266

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate (CID 67668185) is methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate is COC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCCC1.
What is the InChIKey of methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate?
The InChIKey is SYDSLGFRFQFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12-9-13(2)15(14(3)10-12)11-16(19)18(17(20)21-4)7-5-6-8-18/h9-10H,5-8,11H2,1-4H3.
What are the key properties of methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate?
methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 67668185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).