(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate

C10H14O4 — CID 59460099

IUPAC(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1OC(=O)C(C)C1C
InChIInChI=1S/C10H14O4/c1-5(2)8(11)13-10-7(4)6(3)9(12)14-10/h6-7,10H,1H2,2-4H3
InChIKeyRATIBSDSQZRRQT-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.26
Rot. Bonds2

About (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate

(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate (PubChem CID 59460099) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
PubChem CID59460099
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1OC(=O)C(C)C1C
InChIInChI=1S/C10H14O4/c1-5(2)8(11)13-10-7(4)6(3)9(12)14-10/h6-7,10H,1H2,2-4H3
InChIKeyRATIBSDSQZRRQT-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-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-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate (CID 59460099) is (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1OC(=O)C(C)C1C.
What is the InChIKey of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
The InChIKey is RATIBSDSQZRRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5(2)8(11)13-10-7(4)6(3)9(12)14-10/h6-7,10H,1H2,2-4H3.
What are the key properties of (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate?
(3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-5-oxooxolan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 59460099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).