(5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate

C11H18O4 — CID 21465708

IUPAC(5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate
SMILESCC1(C)CC(=O)C(OC(=O)C(C)(C)C)O1
InChIInChI=1S/C11H18O4/c1-10(2,3)9(13)14-8-7(12)6-11(4,5)15-8/h8H,6H2,1-5H3
InChIKeyZABFNJDGFIIJFA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds1

About (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate

(5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate (PubChem CID 21465708) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate
PubChem CID21465708
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate
SMILESCC1(C)CC(=O)C(OC(=O)C(C)(C)C)O1
InChIInChI=1S/C11H18O4/c1-10(2,3)9(13)14-8-7(12)6-11(4,5)15-8/h8H,6H2,1-5H3
InChIKeyZABFNJDGFIIJFA-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate 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

Acetic acid 4,4-diethoxy-1,1-dimethyl-2-oxobutyl ester
CID 11413918
3,3-Diethoxy-1-(2,2,4-trimethyl-[1,3]dioxolan-4-yl)propan-1-one
CID 22473551
(4-Oxooxolan-2-yl) 2,2-dimethylbutanoate
CID 57689657
1-Acetyloxyethyl 4-hydroxy-4-methyl-2-oxopentanoate
CID 88171381
(2-Methyl-4-oxooxolan-2-yl) 2,2-dimethylbutanoate
CID 90306946
2-Methoxy-5,5-dimethyloxolan-3-one
CID 117629165
5-Methoxy-2,2-dimethyloxolan-3-one
CID 12711591
(2S,5R)-5-acetyl-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one
CID 101587698
4-(Diethoxymethyl)-2,2,5,5-tetramethyloxolan-3-one
CID 115480775
4-(Dimethoxymethyl)-2,2-dimethyloxolan-3-one
CID 130646688
1,1-Diethoxy-4-methoxy-4-methylpentan-3-one
CID 165874329
4-(Diethoxymethyl)-2,2-dimethyloxolan-3-one
CID 165896475

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate?
The IUPAC name of (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate (CID 21465708) is (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate is CC1(C)CC(=O)C(OC(=O)C(C)(C)C)O1.
What is the InChIKey of (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate?
The InChIKey is ZABFNJDGFIIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-10(2,3)9(13)14-8-7(12)6-11(4,5)15-8/h8H,6H2,1-5H3.
What are the key properties of (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate?
(5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-3-oxooxolan-2-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 21465708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).