methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate

C10H14O4 — CID 141101619

IUPACmethyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1COC(=O)C1CC
InChIInChI=1S/C10H14O4/c1-4-7-8(5-14-10(7)12)6(2)9(11)13-3/h7-8H,2,4-5H2,1,3H3
InChIKeyJIIZXIYHYYRQLR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds3

About methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate

methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate (PubChem CID 141101619) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate
PubChem CID141101619
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1COC(=O)C1CC
InChIInChI=1S/C10H14O4/c1-4-7-8(5-14-10(7)12)6(2)9(11)13-3/h7-8H,2,4-5H2,1,3H3
InChIKeyJIIZXIYHYYRQLR-UHFFFAOYSA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate?
The IUPAC name of methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate (CID 141101619) is methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate?
The canonical SMILES for methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate is C=C(C(=O)OC)C1COC(=O)C1CC.
What is the InChIKey of methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate?
The InChIKey is JIIZXIYHYYRQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-7-8(5-14-10(7)12)6(2)9(11)13-3/h7-8H,2,4-5H2,1,3H3.
What are the key properties of methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate?
methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate is sourced from PubChem (CID 141101619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).