4-(methoxymethyl)-5-methyl-1,3-dioxole

C6H10O3 — CID 163791690

IUPAC4-(methoxymethyl)-5-methyl-1,3-dioxole
SMILESCOCC1=C(C)OCO1
InChIInChI=1S/C6H10O3/c1-5-6(3-7-2)9-4-8-5/h3-4H2,1-2H3
InChIKeyMXIHGAZLDHLBBD-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.87
Rot. Bonds2

About 4-(methoxymethyl)-5-methyl-1,3-dioxole

4-(methoxymethyl)-5-methyl-1,3-dioxole (PubChem CID 163791690) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-1,3-dioxole.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-1,3-dioxole
PubChem CID163791690
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name4-(methoxymethyl)-5-methyl-1,3-dioxole
SMILESCOCC1=C(C)OCO1
InChIInChI=1S/C6H10O3/c1-5-6(3-7-2)9-4-8-5/h3-4H2,1-2H3
InChIKeyMXIHGAZLDHLBBD-UHFFFAOYSA-N
XLogP0.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-1,3-dioxole?
The IUPAC name of 4-(methoxymethyl)-5-methyl-1,3-dioxole (CID 163791690) is 4-(methoxymethyl)-5-methyl-1,3-dioxole.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-1,3-dioxole?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-1,3-dioxole is COCC1=C(C)OCO1.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-1,3-dioxole?
The InChIKey is MXIHGAZLDHLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5-6(3-7-2)9-4-8-5/h3-4H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-5-methyl-1,3-dioxole?
4-(methoxymethyl)-5-methyl-1,3-dioxole has a molecular weight of 130.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methyl-1,3-dioxole is sourced from PubChem (CID 163791690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).