2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate

C15H26O4 — CID 23561942

IUPAC2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(CC)C1CCOC(=O)C1
InChIInChI=1S/C15H26O4/c1-6-14(3,4)13(17)19-15(5,7-2)11-8-9-18-12(16)10-11/h11H,6-10H2,1-5H3
InChIKeyWMTIZJWUJHMQBN-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate

2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate (PubChem CID 23561942) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate
PubChem CID23561942
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(CC)C1CCOC(=O)C1
InChIInChI=1S/C15H26O4/c1-6-14(3,4)13(17)19-15(5,7-2)11-8-9-18-12(16)10-11/h11H,6-10H2,1-5H3
InChIKeyWMTIZJWUJHMQBN-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxooxolan-3-yl) 2-(2,2-dimethylbutanoyloxy)-2-ethylbutanoate
CID 20686246
(3-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate
CID 167550898
2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate
CID 23561928
[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
CID 91000884
2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
CID 58291384
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 91176528
2-(4,9-dioxo-1,5-dioxonan-7-yl)-2-methylbutanoic acid
CID 129188360
4-[5-(5-hydroxyoxolan-3-yl)-2,5-dimethylhexan-2-yl]oxan-2-one
CID 138742562
(2-oxooxolan-3-yl) 3-(2,2-dimethylbutanoyloxy)-2-oxooxane-4-carboxylate
CID 155764572
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
1,4-dioxan-2-yl 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 158325224
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(2-oxooxolan-3-yl) butanedioate
CID 20776580

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate (CID 23561942) is 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(CC)C1CCOC(=O)C1.
What is the InChIKey of 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate?
The InChIKey is WMTIZJWUJHMQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-6-14(3,4)13(17)19-15(5,7-2)11-8-9-18-12(16)10-11/h11H,6-10H2,1-5H3.
What are the key properties of 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate?
2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate has a molecular weight of 270.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 23561942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).