cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate

C13H20O4 — CID 70467562

IUPACcyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
SMILESC=C(C)C(=O)OC1CCC1.C=CC(=O)OCC
InChIInChI=1S/C8H12O2.C5H8O2/c1-6(2)8(9)10-7-4-3-5-7;1-3-5(6)7-4-2/h7H,1,3-5H2,2H3;3H,1,4H2,2H3
InChIKeyOZHQJXTVWSUQFL-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.39
Rot. Bonds4

About cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate

cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate (PubChem CID 70467562) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate.

Molecular Properties

Compound Namecyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
PubChem CID70467562
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namecyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate
SMILESC=C(C)C(=O)OC1CCC1.C=CC(=O)OCC
InChIInChI=1S/C8H12O2.C5H8O2/c1-6(2)8(9)10-7-4-3-5-7;1-3-5(6)7-4-2/h7H,1,3-5H2,2H3;3H,1,4H2,2H3
InChIKeyOZHQJXTVWSUQFL-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
cyclohexyl 2-methylprop-2-enoate;cyclohexyl prop-2-enoate;hexyl prop-2-enoate
CID 118666735
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
The IUPAC name of cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate (CID 70467562) is cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate.
What is the SMILES notation for cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
The canonical SMILES for cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate is C=C(C)C(=O)OC1CCC1.C=CC(=O)OCC.
What is the InChIKey of cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
The InChIKey is OZHQJXTVWSUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C5H8O2/c1-6(2)8(9)10-7-4-3-5-7;1-3-5(6)7-4-2/h7H,1,3-5H2,2H3;3H,1,4H2,2H3.
What are the key properties of cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate?
cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-methylprop-2-enoate;ethyl prop-2-enoate is sourced from PubChem (CID 70467562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).