4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole

C7H12O3 — CID 118201103

IUPAC4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole
SMILESCOCC1=C(C)OC(C)O1
InChIInChI=1S/C7H12O3/c1-5-7(4-8-3)10-6(2)9-5/h6H,4H2,1-3H3
InChIKeyVOHMBISTTSBAFL-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.26
Rot. Bonds2

About 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole

4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole (PubChem CID 118201103) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole.

Molecular Properties

Compound Name4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole
PubChem CID118201103
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole
SMILESCOCC1=C(C)OC(C)O1
InChIInChI=1S/C7H12O3/c1-5-7(4-8-3)10-6(2)9-5/h6H,4H2,1-3H3
InChIKeyVOHMBISTTSBAFL-UHFFFAOYSA-N
XLogP1.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole?
The IUPAC name of 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole (CID 118201103) is 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole.
What is the SMILES notation for 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole?
The canonical SMILES for 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole is COCC1=C(C)OC(C)O1.
What is the InChIKey of 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole?
The InChIKey is VOHMBISTTSBAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5-7(4-8-3)10-6(2)9-5/h6H,4H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole?
4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole has a molecular weight of 144.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2,5-dimethyl-1,3-dioxole is sourced from PubChem (CID 118201103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).