[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate

C18H22O2 — CID 70226149

IUPAC[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate
SMILESCC1=CC(C)/C(=C\OC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H22O2/c1-14-8-10-17(15(2)12-14)13-20-18(19)11-9-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3/b17-13-
InChIKeyFUEPXJJINAEGML-LGMDPLHJSA-N
MW270.37 g/mol
LogP4.42
Rot. Bonds4

About [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate

[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate (PubChem CID 70226149) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate
PubChem CID70226149
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate
SMILESCC1=CC(C)/C(=C\OC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H22O2/c1-14-8-10-17(15(2)12-14)13-20-18(19)11-9-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3/b17-13-
InChIKeyFUEPXJJINAEGML-LGMDPLHJSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 2-phenylacetate
CID 70225108
ethyl 3-phenylpropanoate;propanal
CID 90891703
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
propanoyl 3-phenylpropanoate
CID 19437711
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
[(1E,9E)-undeca-1,9-dienyl] 3-phenylpropanoate
CID 70225660
1-O-ethyl 4-O-[3-oxo-3-(3-phenylpropanoyloxy)propyl] but-2-enedioate
CID 173141148
carbamoyl 3-phenylpropanoate
CID 56614916
azane;benzyl 3-phenylpropanoate
CID 175136325
CID 70464798
CID 70464798

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate?
The IUPAC name of [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate (CID 70226149) is [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate.
What is the SMILES notation for [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate?
The canonical SMILES for [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate is CC1=CC(C)/C(=C\OC(=O)CCc2ccccc2)CC1.
What is the InChIKey of [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate?
The InChIKey is FUEPXJJINAEGML-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H22O2/c1-14-8-10-17(15(2)12-14)13-20-18(19)11-9-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3/b17-13-.
What are the key properties of [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate?
[(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate has a molecular weight of 270.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,4-dimethylcyclohex-3-en-1-ylidene)methyl] 3-phenylpropanoate is sourced from PubChem (CID 70226149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).