[(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate

C12H20O4 — CID 10878912

IUPAC[(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](CC(=O)C(C)(C)C)CO1
InChIInChI=1S/C12H20O4/c1-8(13)16-11-6-9(7-15-11)5-10(14)12(2,3)4/h9,11H,5-7H2,1-4H3/t9-,11?/m0/s1
InChIKeyJXERAQVAAGPYCK-FTNKSUMCSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds3

About [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate

[(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate (PubChem CID 10878912) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate
PubChem CID10878912
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name[(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](CC(=O)C(C)(C)C)CO1
InChIInChI=1S/C12H20O4/c1-8(13)16-11-6-9(7-15-11)5-10(14)12(2,3)4/h9,11H,5-7H2,1-4H3/t9-,11?/m0/s1
InChIKeyJXERAQVAAGPYCK-FTNKSUMCSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate 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 [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate?
The IUPAC name of [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate (CID 10878912) is [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate.
What is the SMILES notation for [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate?
The canonical SMILES for [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate is CC(=O)OC1C[C@H](CC(=O)C(C)(C)C)CO1.
What is the InChIKey of [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate?
The InChIKey is JXERAQVAAGPYCK-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H20O4/c1-8(13)16-11-6-9(7-15-11)5-10(14)12(2,3)4/h9,11H,5-7H2,1-4H3/t9-,11?/m0/s1.
What are the key properties of [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate?
[(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate has a molecular weight of 228.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(3,3-dimethyl-2-oxobutyl)oxolan-2-yl] acetate is sourced from PubChem (CID 10878912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).