ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate

C11H20O4 — CID 10680237

IUPACethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate
SMILESCCOC(=O)CCC1COC(C)(C)OC1
InChIInChI=1S/C11H20O4/c1-4-13-10(12)6-5-9-7-14-11(2,3)15-8-9/h9H,4-8H2,1-3H3
InChIKeyWNJJKLDIMAHUCM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.73
Rot. Bonds4

About ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate

ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate (PubChem CID 10680237) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate
PubChem CID10680237
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate
SMILESCCOC(=O)CCC1COC(C)(C)OC1
InChIInChI=1S/C11H20O4/c1-4-13-10(12)6-5-9-7-14-11(2,3)15-8-9/h9H,4-8H2,1-3H3
InChIKeyWNJJKLDIMAHUCM-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate?
The IUPAC name of ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate (CID 10680237) is ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate?
The canonical SMILES for ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate is CCOC(=O)CCC1COC(C)(C)OC1.
What is the InChIKey of ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate?
The InChIKey is WNJJKLDIMAHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-13-10(12)6-5-9-7-14-11(2,3)15-8-9/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate?
ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate has a molecular weight of 216.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate is sourced from PubChem (CID 10680237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).