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

C11H20O5 — CID 20693246

IUPAC(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate
SMILESCCC1(COC(=O)OC)COC(C)(C)OC1
InChIInChI=1S/C11H20O5/c1-5-11(6-14-9(12)13-4)7-15-10(2,3)16-8-11/h5-8H2,1-4H3
InChIKeyGNSHWSHGERPLES-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.95
Rot. Bonds3

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

(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate (PubChem CID 20693246) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate.

Molecular Properties

Compound Name(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate
PubChem CID20693246
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate
SMILESCCC1(COC(=O)OC)COC(C)(C)OC1
InChIInChI=1S/C11H20O5/c1-5-11(6-14-9(12)13-4)7-15-10(2,3)16-8-11/h5-8H2,1-4H3
InChIKeyGNSHWSHGERPLES-UHFFFAOYSA-N
XLogP1.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dioxane, 2-(1,1-dimethylethyl)-2,5,5-trimethyl-
CID 122602
5-Ethyl-2,2,5-trimethyl-1,3-dioxane
CID 15363609
Aerxskaaoxpglg-uhfffaoysa-
CID 15363610
2,2,4,4,5,5-Hexamethyl-1,3-dioxane
CID 21579394
2-Tert-butyl-2-methyl-1,3-dioxane
CID 303690
4,5,5-Trimethyl-1,3-dioxan-2-one
CID 20032188
4,4,5,5-Tetramethyl-1,3-dioxan-2-one
CID 118321748
Methyl-(5-ethyl-1,3-dioxan-5-yl)methylcarbonate
CID 129770905
Ethyl (5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 3761942
5-Tert-butyl-2,2-dimethyl-1,3-dioxane
CID 21675708
2,5-Diethyl-2,5-dimethyl-1,3-dioxane
CID 236300
5-(Ethoxymethyl)-5-ethyl-1,3-dioxane
CID 13954707

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate?
The IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate (CID 20693246) is (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate.
What is the SMILES notation for (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate?
The canonical SMILES for (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate is CCC1(COC(=O)OC)COC(C)(C)OC1.
What is the InChIKey of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate?
The InChIKey is GNSHWSHGERPLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-11(6-14-9(12)13-4)7-15-10(2,3)16-8-11/h5-8H2,1-4H3.
What are the key properties of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate?
(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate has a molecular weight of 232.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methyl methyl carbonate is sourced from PubChem (CID 20693246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).