methyl 2-(2-ethenylcyclohexyl)propanoate

C12H20O2 — CID 141349607

IUPACmethyl 2-(2-ethenylcyclohexyl)propanoate
SMILESC=CC1CCCCC1C(C)C(=O)OC
InChIInChI=1S/C12H20O2/c1-4-10-7-5-6-8-11(10)9(2)12(13)14-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyWLGUCJVNXVTTBR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.79
Rot. Bonds3

About methyl 2-(2-ethenylcyclohexyl)propanoate

methyl 2-(2-ethenylcyclohexyl)propanoate (PubChem CID 141349607) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl 2-(2-ethenylcyclohexyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-ethenylcyclohexyl)propanoate
PubChem CID141349607
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl 2-(2-ethenylcyclohexyl)propanoate
SMILESC=CC1CCCCC1C(C)C(=O)OC
InChIInChI=1S/C12H20O2/c1-4-10-7-5-6-8-11(10)9(2)12(13)14-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyWLGUCJVNXVTTBR-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-[(1R,2S)-2-ethenylcyclopentyl]propanedioate
CID 14562870
methyl 2-[(1R,2S)-2-ethenylcyclopentyl]-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 100919296
methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 141177675
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
dimethyl 2-[(1R)-1-cyclohexylprop-2-enyl]propanedioate
CID 102383216
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
methyl 2-(2-oxocycloheptyl)propanoate
CID 70625293
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
CID 10797593
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 2-[(2S,6S)-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 67669823

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethenylcyclohexyl)propanoate?
The IUPAC name of methyl 2-(2-ethenylcyclohexyl)propanoate (CID 141349607) is methyl 2-(2-ethenylcyclohexyl)propanoate.
What is the SMILES notation for methyl 2-(2-ethenylcyclohexyl)propanoate?
The canonical SMILES for methyl 2-(2-ethenylcyclohexyl)propanoate is C=CC1CCCCC1C(C)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethenylcyclohexyl)propanoate?
The InChIKey is WLGUCJVNXVTTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-10-7-5-6-8-11(10)9(2)12(13)14-3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of methyl 2-(2-ethenylcyclohexyl)propanoate?
methyl 2-(2-ethenylcyclohexyl)propanoate has a molecular weight of 196.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethenylcyclohexyl)propanoate is sourced from PubChem (CID 141349607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).