cyclopentyl 2-butanoyloxy-2-methylpropanoate

C13H22O4 — CID 163209296

IUPACcyclopentyl 2-butanoyloxy-2-methylpropanoate
SMILESCCCC(=O)OC(C)(C)C(=O)OC1CCCC1
InChIInChI=1S/C13H22O4/c1-4-7-11(14)17-13(2,3)12(15)16-10-8-5-6-9-10/h10H,4-9H2,1-3H3
InChIKeyDGYYONZATLTWCF-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.59
Rot. Bonds5

About cyclopentyl 2-butanoyloxy-2-methylpropanoate

cyclopentyl 2-butanoyloxy-2-methylpropanoate (PubChem CID 163209296) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is cyclopentyl 2-butanoyloxy-2-methylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-butanoyloxy-2-methylpropanoate
PubChem CID163209296
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namecyclopentyl 2-butanoyloxy-2-methylpropanoate
SMILESCCCC(=O)OC(C)(C)C(=O)OC1CCCC1
InChIInChI=1S/C13H22O4/c1-4-7-11(14)17-13(2,3)12(15)16-10-8-5-6-9-10/h10H,4-9H2,1-3H3
InChIKeyDGYYONZATLTWCF-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl 2-butanoyloxy-2-methylpropanoate 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 cyclopentyl 2-butanoyloxy-2-methylpropanoate?
The IUPAC name of cyclopentyl 2-butanoyloxy-2-methylpropanoate (CID 163209296) is cyclopentyl 2-butanoyloxy-2-methylpropanoate.
What is the SMILES notation for cyclopentyl 2-butanoyloxy-2-methylpropanoate?
The canonical SMILES for cyclopentyl 2-butanoyloxy-2-methylpropanoate is CCCC(=O)OC(C)(C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-butanoyloxy-2-methylpropanoate?
The InChIKey is DGYYONZATLTWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-4-7-11(14)17-13(2,3)12(15)16-10-8-5-6-9-10/h10H,4-9H2,1-3H3.
What are the key properties of cyclopentyl 2-butanoyloxy-2-methylpropanoate?
cyclopentyl 2-butanoyloxy-2-methylpropanoate has a molecular weight of 242.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-butanoyloxy-2-methylpropanoate is sourced from PubChem (CID 163209296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).