4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane

C7H14O3 — CID 15570874

IUPAC4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOCC1COC(C)(C)O1
InChIInChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)4-8-3/h6H,4-5H2,1-3H3
InChIKeyATRLVVVJFBQMEX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds2

About 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane

4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 15570874) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID15570874
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCOCC1COC(C)(C)O1
InChIInChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)4-8-3/h6H,4-5H2,1-3H3
InChIKeyATRLVVVJFBQMEX-UHFFFAOYSA-N
XLogP0.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane 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 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 15570874) is 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane is COCC1COC(C)(C)O1.
What is the InChIKey of 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is ATRLVVVJFBQMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)4-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane?
4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 146.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 15570874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).