ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

C12H22O3 — CID 75478875

IUPACethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
SMILESCCOC(=O)CC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H22O3/c1-6-14-10(13)7-9-8-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3
InChIKeyIPVBSPQFHKAZPQ-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds3

About ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate (PubChem CID 75478875) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
PubChem CID75478875
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
SMILESCCOC(=O)CC1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H22O3/c1-6-14-10(13)7-9-8-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3
InChIKeyIPVBSPQFHKAZPQ-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate (CID 75478875) is ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate is CCOC(=O)CC1CC(C)(C)OC1(C)C.
What is the InChIKey of ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
The InChIKey is IPVBSPQFHKAZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-6-14-10(13)7-9-8-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate is sourced from PubChem (CID 75478875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).