5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one

C8H14O4 — CID 14071555

IUPAC5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
SMILESCCOCC1(C)COC(=O)OC1
InChIInChI=1S/C8H14O4/c1-3-10-4-8(2)5-11-7(9)12-6-8/h3-6H2,1-2H3
InChIKeyQSHCKZWREXDDIX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.20
Rot. Bonds3

About 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one

5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one (PubChem CID 14071555) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
PubChem CID14071555
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
SMILESCCOCC1(C)COC(=O)OC1
InChIInChI=1S/C8H14O4/c1-3-10-4-8(2)5-11-7(9)12-6-8/h3-6H2,1-2H3
InChIKeyQSHCKZWREXDDIX-UHFFFAOYSA-N
XLogP1.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-yloxymethyl)-5-methyl-1,3-dioxan-2-one
CID 166060650
2,2,4,6,6-pentamethyl-4-[(5-methyl-2-oxo-1,3-dioxan-5-yl)methoxymethyl]heptane-3,5-dione
CID 122544028
(5-methyl-2-oxo-1,3-dioxan-5-yl)methyl carbonochloridate
CID 58498495
2-(2-ethoxyethoxy)ethyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 175304446
(5-methyl-2-oxo-1,3-dioxan-5-yl)methyl 3-acetyloxy-2-(acetyloxymethyl)-2-methylpropanoate
CID 59779917
(5-methyl-2-oxo-1,3-dioxan-5-yl)methyl 3-phenylpropanoate
CID 58498505
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717
5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
CID 130368124
1,3-bis(5-methyl-2-oxo-1,3-dioxan-5-yl)propane-1,3-dione
CID 54321585
ethoxyethane;bis(3-ethyl-3-methyloxetane)
CID 69107324
2-(ethoxymethyl)oxiran-2-ol
CID 58975653
5,5-bis(ethoxymethyl)-2-phenyl-1,3-dioxane
CID 12857507

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
The IUPAC name of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one (CID 14071555) is 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one.
What is the SMILES notation for 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
The canonical SMILES for 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one is CCOCC1(C)COC(=O)OC1.
What is the InChIKey of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
The InChIKey is QSHCKZWREXDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-10-4-8(2)5-11-7(9)12-6-8/h3-6H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one is sourced from PubChem (CID 14071555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).