methyl 2-(2,5-diethyloxolan-3-yl)propanoate

C12H22O3 — CID 70933076

IUPACmethyl 2-(2,5-diethyloxolan-3-yl)propanoate
SMILESCCC1CC(C(C)C(=O)OC)C(CC)O1
InChIInChI=1S/C12H22O3/c1-5-9-7-10(11(6-2)15-9)8(3)12(13)14-4/h8-11H,5-7H2,1-4H3
InChIKeyBLXQDFNMVNZWDE-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-(2,5-diethyloxolan-3-yl)propanoate

methyl 2-(2,5-diethyloxolan-3-yl)propanoate (PubChem CID 70933076) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 2-(2,5-diethyloxolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-diethyloxolan-3-yl)propanoate
PubChem CID70933076
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 2-(2,5-diethyloxolan-3-yl)propanoate
SMILESCCC1CC(C(C)C(=O)OC)C(CC)O1
InChIInChI=1S/C12H22O3/c1-5-9-7-10(11(6-2)15-9)8(3)12(13)14-4/h8-11H,5-7H2,1-4H3
InChIKeyBLXQDFNMVNZWDE-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-diethyloxolan-3-yl)propanoate?
The IUPAC name of methyl 2-(2,5-diethyloxolan-3-yl)propanoate (CID 70933076) is methyl 2-(2,5-diethyloxolan-3-yl)propanoate.
What is the SMILES notation for methyl 2-(2,5-diethyloxolan-3-yl)propanoate?
The canonical SMILES for methyl 2-(2,5-diethyloxolan-3-yl)propanoate is CCC1CC(C(C)C(=O)OC)C(CC)O1.
What is the InChIKey of methyl 2-(2,5-diethyloxolan-3-yl)propanoate?
The InChIKey is BLXQDFNMVNZWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-9-7-10(11(6-2)15-9)8(3)12(13)14-4/h8-11H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2,5-diethyloxolan-3-yl)propanoate?
methyl 2-(2,5-diethyloxolan-3-yl)propanoate has a molecular weight of 214.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-diethyloxolan-3-yl)propanoate is sourced from PubChem (CID 70933076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).