1,3-dioxane;ethyl methyl carbonate

C8H16O5 — CID 174876251

IUPAC1,3-dioxane;ethyl methyl carbonate
SMILESC1COCOC1.CCOC(=O)OC
InChIInChI=1S/C4H8O3.C4H8O2/c1-3-7-4(5)6-2;1-2-5-4-6-3-1/h3H2,1-2H3;1-4H2
InChIKeyGDBOZUFZUGOPFP-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.17
Rot. Bonds1

About 1,3-dioxane;ethyl methyl carbonate

1,3-dioxane;ethyl methyl carbonate (PubChem CID 174876251) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1,3-dioxane;ethyl methyl carbonate.

Molecular Properties

Compound Name1,3-dioxane;ethyl methyl carbonate
PubChem CID174876251
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name1,3-dioxane;ethyl methyl carbonate
SMILESC1COCOC1.CCOC(=O)OC
InChIInChI=1S/C4H8O3.C4H8O2/c1-3-7-4(5)6-2;1-2-5-4-6-3-1/h3H2,1-2H3;1-4H2
InChIKeyGDBOZUFZUGOPFP-UHFFFAOYSA-N
XLogP1.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
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methyl 2-amino-2-ethoxycarbonyloxyacetate
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ethyl carbonochloridate;oxirane
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acetyl acetate;1,3-dioxane
CID 174949221
1,4-dioxane;ethyl carbamate;urea
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dizinc;ethyl acetate;oxolane;dibromide
CID 10240116
ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxane;ethyl methyl carbonate?
The IUPAC name of 1,3-dioxane;ethyl methyl carbonate (CID 174876251) is 1,3-dioxane;ethyl methyl carbonate.
What is the SMILES notation for 1,3-dioxane;ethyl methyl carbonate?
The canonical SMILES for 1,3-dioxane;ethyl methyl carbonate is C1COCOC1.CCOC(=O)OC.
What is the InChIKey of 1,3-dioxane;ethyl methyl carbonate?
The InChIKey is GDBOZUFZUGOPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C4H8O2/c1-3-7-4(5)6-2;1-2-5-4-6-3-1/h3H2,1-2H3;1-4H2.
What are the key properties of 1,3-dioxane;ethyl methyl carbonate?
1,3-dioxane;ethyl methyl carbonate has a molecular weight of 192.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxane;ethyl methyl carbonate is sourced from PubChem (CID 174876251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).