[3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate

C15H22O6 — CID 20643858

IUPAC[3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OC1C(=O)OC(C)(C)C1(C)C
InChIInChI=1S/C15H22O6/c1-9(2)12(17)19-8-7-10(16)20-11-13(18)21-15(5,6)14(11,3)4/h11H,1,7-8H2,2-6H3
InChIKeyOXCOYSJZMOKUAK-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.77
Rot. Bonds5

About [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate

[3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate (PubChem CID 20643858) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
PubChem CID20643858
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name[3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OC1C(=O)OC(C)(C)C1(C)C
InChIInChI=1S/C15H22O6/c1-9(2)12(17)19-8-7-10(16)20-11-13(18)21-15(5,6)14(11,3)4/h11H,1,7-8H2,2-6H3
InChIKeyOXCOYSJZMOKUAK-UHFFFAOYSA-N
XLogP1.77
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 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-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate (CID 20643858) is [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OC1C(=O)OC(C)(C)C1(C)C.
What is the InChIKey of [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
The InChIKey is OXCOYSJZMOKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-9(2)12(17)19-8-7-10(16)20-11-13(18)21-15(5,6)14(11,3)4/h11H,1,7-8H2,2-6H3.
What are the key properties of [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
[3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20643858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).