methyl 2-(2-pentyloxolan-3-yl)acetate

C12H22O3 — CID 54056140

IUPACmethyl 2-(2-pentyloxolan-3-yl)acetate
SMILESCCCCCC1OCCC1CC(=O)OC
InChIInChI=1S/C12H22O3/c1-3-4-5-6-11-10(7-8-15-11)9-12(13)14-2/h10-11H,3-9H2,1-2H3
InChIKeyLWJVESYCAJYAOD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds6

About methyl 2-(2-pentyloxolan-3-yl)acetate

methyl 2-(2-pentyloxolan-3-yl)acetate (PubChem CID 54056140) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 2-(2-pentyloxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-pentyloxolan-3-yl)acetate
PubChem CID54056140
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 2-(2-pentyloxolan-3-yl)acetate
SMILESCCCCCC1OCCC1CC(=O)OC
InChIInChI=1S/C12H22O3/c1-3-4-5-6-11-10(7-8-15-11)9-12(13)14-2/h10-11H,3-9H2,1-2H3
InChIKeyLWJVESYCAJYAOD-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-(2-pentyloxolan-3-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 methyl 2-(2-pentyloxolan-3-yl)acetate?
The IUPAC name of methyl 2-(2-pentyloxolan-3-yl)acetate (CID 54056140) is methyl 2-(2-pentyloxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-pentyloxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(2-pentyloxolan-3-yl)acetate is CCCCCC1OCCC1CC(=O)OC.
What is the InChIKey of methyl 2-(2-pentyloxolan-3-yl)acetate?
The InChIKey is LWJVESYCAJYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-4-5-6-11-10(7-8-15-11)9-12(13)14-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-(2-pentyloxolan-3-yl)acetate?
methyl 2-(2-pentyloxolan-3-yl)acetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pentyloxolan-3-yl)acetate is sourced from PubChem (CID 54056140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).