(3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate

C11H16O4 — CID 18546589

IUPAC(3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)C(=O)OC(C)C1(C)C
InChIInChI=1S/C11H16O4/c1-6-8(12)15-11(5)9(13)14-7(2)10(11,3)4/h6-7H,1H2,2-5H3
InChIKeyPUEIIKWGSMYBDS-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds2

About (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate

(3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate (PubChem CID 18546589) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate
PubChem CID18546589
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)C(=O)OC(C)C1(C)C
InChIInChI=1S/C11H16O4/c1-6-8(12)15-11(5)9(13)14-7(2)10(11,3)4/h6-7H,1H2,2-5H3
InChIKeyPUEIIKWGSMYBDS-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate (CID 18546589) is (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1(C)C(=O)OC(C)C1(C)C.
What is the InChIKey of (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is PUEIIKWGSMYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-8(12)15-11(5)9(13)14-7(2)10(11,3)4/h6-7H,1H2,2-5H3.
What are the key properties of (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
(3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,4,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 18546589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).