ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate

C14H20O5 — CID 88834562

IUPACethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC.C=CC(=O)OC1(C2CO2)CC1
InChIInChI=1S/C8H10O3.C6H10O2/c1-2-7(9)11-8(3-4-8)6-5-10-6;1-4-8-6(7)5(2)3/h2,6H,1,3-5H2;2,4H2,1,3H3
InChIKeyKPPHXPLMFVWHTE-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.77
Rot. Bonds5

About ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate

ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate (PubChem CID 88834562) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate
PubChem CID88834562
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCC.C=CC(=O)OC1(C2CO2)CC1
InChIInChI=1S/C8H10O3.C6H10O2/c1-2-7(9)11-8(3-4-8)6-5-10-6;1-4-8-6(7)5(2)3/h2,6H,1,3-5H2;2,4H2,1,3H3
InChIKeyKPPHXPLMFVWHTE-UHFFFAOYSA-N
XLogP1.77
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
CID 87085924
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
(2-prop-2-enoyloxyoxiran-2-yl)methyl 2-methylprop-2-enoate
CID 141129170
ethyl 2-methylprop-2-enoate
CID 130475774
[1-(oxolan-2-yl)cyclobutyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclobutyl] prop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] 2-methylprop-2-enoate;[1-(oxolan-2-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-3-yl)cyclopentyl] prop-2-enoate;[1-(oxolan-3-yl)cyclopropyl] 2-methylprop-2-enoate;[1-(oxolan-3-yl)cyclopropyl] prop-2-enoate
CID 160501827
[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate
CID 58734457
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;methane
CID 159235789
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate?
The IUPAC name of ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate (CID 88834562) is ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate?
The canonical SMILES for ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate is C=C(C)C(=O)OCC.C=CC(=O)OC1(C2CO2)CC1.
What is the InChIKey of ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate?
The InChIKey is KPPHXPLMFVWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C6H10O2/c1-2-7(9)11-8(3-4-8)6-5-10-6;1-4-8-6(7)5(2)3/h2,6H,1,3-5H2;2,4H2,1,3H3.
What are the key properties of ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate?
ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate has a molecular weight of 268.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate is sourced from PubChem (CID 88834562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).