cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate

C18H24O3 — CID 141497219

IUPACcyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate
SMILESCC(C)(C(=O)OC1CCCCC1)c1ccc(CC=O)cc1
InChIInChI=1S/C18H24O3/c1-18(2,15-10-8-14(9-11-15)12-13-19)17(20)21-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyOHUGZIXSAVJNNA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.58
Rot. Bonds5

About cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate

cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate (PubChem CID 141497219) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate
PubChem CID141497219
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Namecyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate
SMILESCC(C)(C(=O)OC1CCCCC1)c1ccc(CC=O)cc1
InChIInChI=1S/C18H24O3/c1-18(2,15-10-8-14(9-11-15)12-13-19)17(20)21-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyOHUGZIXSAVJNNA-UHFFFAOYSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclohexyl 2-[2-(4-ethenylphenyl)ethyl]-2-methyl-3-oxobutanoate;propan-2-yl 2-[2-(4-ethenylphenyl)ethyl]-2-methyl-3-oxobutanoate
CID 90730108
[1-cyclohexyl-1-(4-prop-2-enylphenyl)ethyl] 2-methylprop-2-enoate
CID 163741956
cyclohexyl 2,2-dimethylbutanoate;(3,5-ditert-butylphenyl) 2,2-dimethylbutanoate
CID 161130899
cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate?
The IUPAC name of cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate (CID 141497219) is cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate.
What is the SMILES notation for cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate?
The canonical SMILES for cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate is CC(C)(C(=O)OC1CCCCC1)c1ccc(CC=O)cc1.
What is the InChIKey of cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate?
The InChIKey is OHUGZIXSAVJNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-18(2,15-10-8-14(9-11-15)12-13-19)17(20)21-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3.
What are the key properties of cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate?
cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate has a molecular weight of 288.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-2-[4-(2-oxoethyl)phenyl]propanoate is sourced from PubChem (CID 141497219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).