5-(methoxymethyl)-1,3-dioxan-2-one

C6H10O4 — CID 138612880

IUPAC5-(methoxymethyl)-1,3-dioxan-2-one
SMILESCOCC1COC(=O)OC1
InChIInChI=1S/C6H10O4/c1-8-2-5-3-9-6(7)10-4-5/h5H,2-4H2,1H3
InChIKeyMXJDQDGNEKMDNL-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.42
Rot. Bonds2

About 5-(methoxymethyl)-1,3-dioxan-2-one

5-(methoxymethyl)-1,3-dioxan-2-one (PubChem CID 138612880) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-1,3-dioxan-2-one
PubChem CID138612880
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name5-(methoxymethyl)-1,3-dioxan-2-one
SMILESCOCC1COC(=O)OC1
InChIInChI=1S/C6H10O4/c1-8-2-5-3-9-6(7)10-4-5/h5H,2-4H2,1H3
InChIKeyMXJDQDGNEKMDNL-UHFFFAOYSA-N
XLogP0.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(methoxymethyl)-1,3-dioxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,3-dioxan-2-one?
The IUPAC name of 5-(methoxymethyl)-1,3-dioxan-2-one (CID 138612880) is 5-(methoxymethyl)-1,3-dioxan-2-one.
What is the SMILES notation for 5-(methoxymethyl)-1,3-dioxan-2-one?
The canonical SMILES for 5-(methoxymethyl)-1,3-dioxan-2-one is COCC1COC(=O)OC1.
What is the InChIKey of 5-(methoxymethyl)-1,3-dioxan-2-one?
The InChIKey is MXJDQDGNEKMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-8-2-5-3-9-6(7)10-4-5/h5H,2-4H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,3-dioxan-2-one?
5-(methoxymethyl)-1,3-dioxan-2-one has a molecular weight of 146.14 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,3-dioxan-2-one is sourced from PubChem (CID 138612880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).