ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate

C11H20O4 — CID 141390205

IUPACethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate
SMILESCCOC(=O)CC1(C)CCOC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-5-13-9(12)8-11(4)6-7-14-10(2,3)15-11/h5-8H2,1-4H3
InChIKeyDNXZIFAWRNBNPR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate

ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate (PubChem CID 141390205) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate
PubChem CID141390205
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate
SMILESCCOC(=O)CC1(C)CCOC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-5-13-9(12)8-11(4)6-7-14-10(2,3)15-11/h5-8H2,1-4H3
InChIKeyDNXZIFAWRNBNPR-UHFFFAOYSA-N
XLogP1.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate?
The IUPAC name of ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate (CID 141390205) is ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate?
The canonical SMILES for ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate is CCOC(=O)CC1(C)CCOC(C)(C)O1.
What is the InChIKey of ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate?
The InChIKey is DNXZIFAWRNBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-13-9(12)8-11(4)6-7-14-10(2,3)15-11/h5-8H2,1-4H3.
What are the key properties of ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate?
ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate has a molecular weight of 216.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate is sourced from PubChem (CID 141390205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).