(2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate

C15H24O4 — CID 67987699

IUPAC(2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate
SMILESCC(C)=CC(C)(C(=O)OC1CCOC1=O)C(C)(C)C
InChIInChI=1S/C15H24O4/c1-10(2)9-15(6,14(3,4)5)13(17)19-11-7-8-18-12(11)16/h9,11H,7-8H2,1-6H3
InChIKeyPXOAICBRYWYIBG-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.86
Rot. Bonds3

About (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate

(2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate (PubChem CID 67987699) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate
PubChem CID67987699
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate
SMILESCC(C)=CC(C)(C(=O)OC1CCOC1=O)C(C)(C)C
InChIInChI=1S/C15H24O4/c1-10(2)9-15(6,14(3,4)5)13(17)19-11-7-8-18-12(11)16/h9,11H,7-8H2,1-6H3
InChIKeyPXOAICBRYWYIBG-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-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 (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate (CID 67987699) is (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate is CC(C)=CC(C)(C(=O)OC1CCOC1=O)C(C)(C)C.
What is the InChIKey of (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate?
The InChIKey is PXOAICBRYWYIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(2)9-15(6,14(3,4)5)13(17)19-11-7-8-18-12(11)16/h9,11H,7-8H2,1-6H3.
What are the key properties of (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate?
(2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-tert-butyl-2,4-dimethylpent-3-enoate is sourced from PubChem (CID 67987699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).