[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate

C11H18O4 — CID 155198619

IUPAC[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate
SMILESCC(=O)OC(C(C)C)C1OC(=O)CC1C
InChIInChI=1S/C11H18O4/c1-6(2)10(14-8(4)12)11-7(3)5-9(13)15-11/h6-7,10-11H,5H2,1-4H3
InChIKeyUUCPVFQPLFRCTI-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds3

About [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate

[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate (PubChem CID 155198619) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate.

Molecular Properties

Compound Name[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate
PubChem CID155198619
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate
SMILESCC(=O)OC(C(C)C)C1OC(=O)CC1C
InChIInChI=1S/C11H18O4/c1-6(2)10(14-8(4)12)11-7(3)5-9(13)15-11/h6-7,10-11H,5H2,1-4H3
InChIKeyUUCPVFQPLFRCTI-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] 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 [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate?
The IUPAC name of [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate (CID 155198619) is [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate.
What is the SMILES notation for [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate?
The canonical SMILES for [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate is CC(=O)OC(C(C)C)C1OC(=O)CC1C.
What is the InChIKey of [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate?
The InChIKey is UUCPVFQPLFRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-6(2)10(14-8(4)12)11-7(3)5-9(13)15-11/h6-7,10-11H,5H2,1-4H3.
What are the key properties of [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate?
[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate is sourced from PubChem (CID 155198619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).