(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate

C10H14O4 — CID 22650073

IUPAC(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC(=O)OC1(C)C
InChIInChI=1S/C10H14O4/c1-5-7(11)14-10(4)6-8(12)13-9(10,2)3/h5H,1,6H2,2-4H3
InChIKeyHXPFYCYXKVRPSP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.20
Rot. Bonds2

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

(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate (PubChem CID 22650073) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
PubChem CID22650073
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CC(=O)OC1(C)C
InChIInChI=1S/C10H14O4/c1-5-7(11)14-10(4)6-8(12)13-9(10,2)3/h5H,1,6H2,2-4H3
InChIKeyHXPFYCYXKVRPSP-UHFFFAOYSA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.20
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 (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate (CID 22650073) is (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1(C)CC(=O)OC1(C)C.
What is the InChIKey of (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is HXPFYCYXKVRPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-7(11)14-10(4)6-8(12)13-9(10,2)3/h5H,1,6H2,2-4H3.
What are the key properties of (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate?
(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 22650073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).