[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate

C13H20O3 — CID 174356629

IUPAC[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC=C1COCC
InChIInChI=1S/C13H20O3/c1-4-15-9-11-7-5-6-8-12(11)16-13(14)10(2)3/h7,12H,2,4-6,8-9H2,1,3H3
InChIKeyXGSBBOBYHDTTLP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.62
Rot. Bonds5

About [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate

[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate (PubChem CID 174356629) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate
PubChem CID174356629
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC=C1COCC
InChIInChI=1S/C13H20O3/c1-4-15-9-11-7-5-6-8-12(11)16-13(14)10(2)3/h7,12H,2,4-6,8-9H2,1,3H3
InChIKeyXGSBBOBYHDTTLP-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate (CID 174356629) is [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC=C1COCC.
What is the InChIKey of [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
The InChIKey is XGSBBOBYHDTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-15-9-11-7-5-6-8-12(11)16-13(14)10(2)3/h7,12H,2,4-6,8-9H2,1,3H3.
What are the key properties of [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate?
[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate has a molecular weight of 224.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 174356629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).