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

C11H16O4 — CID 22228794

IUPAC(4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OC(C)(C)C1(C)C
InChIInChI=1S/C11H16O4/c1-6-7(12)14-8-9(13)15-11(4,5)10(8,2)3/h6,8H,1H2,2-5H3
InChIKeyVSOZDWDMFHJJLT-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds2

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

(4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate (PubChem CID 22228794) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate
PubChem CID22228794
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OC(C)(C)C1(C)C
InChIInChI=1S/C11H16O4/c1-6-7(12)14-8-9(13)15-11(4,5)10(8,2)3/h6,8H,1H2,2-5H3
InChIKeyVSOZDWDMFHJJLT-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'}

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Frequently Asked Questions

What is the IUPAC name of (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate (CID 22228794) is (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1C(=O)OC(C)(C)C1(C)C.
What is the InChIKey of (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is VSOZDWDMFHJJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-7(12)14-8-9(13)15-11(4,5)10(8,2)3/h6,8H,1H2,2-5H3.
What are the key properties of (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate?
(4,4,5,5-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 (4,4,5,5-tetramethyl-2-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 22228794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).