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

Phenethyl phenylacetate
CID 7601
Isopropyl Phenylacetate
CID 62553
Isoamyl phenylacetate
CID 7600
Isobutyl phenylacetate
CID 60998
Hexyl phenylacetate
CID 221691
Phenethyl octanoate
CID 229888
Butyl phenylacetate
CID 31210
Octyl phenylacetate
CID 61050
3-Hexenyl phenylacetate, (3Z)-
CID 5367698
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Citronellyl phenylacetate
CID 8767
Pentyl phenylacetate
CID 98492

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).