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

C7H12O4 — CID 141057268

IUPAC4,5-bis(methoxymethyl)-1,3-dioxole
SMILESCOCC1=C(COC)OCO1
InChIInChI=1S/C7H12O4/c1-8-3-6-7(4-9-2)11-5-10-6/h3-5H2,1-2H3
InChIKeyLRJCOUQWMBPTPR-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.50
Rot. Bonds4

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

4,5-bis(methoxymethyl)-1,3-dioxole (PubChem CID 141057268) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-1,3-dioxole.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-1,3-dioxole
PubChem CID141057268
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name4,5-bis(methoxymethyl)-1,3-dioxole
SMILESCOCC1=C(COC)OCO1
InChIInChI=1S/C7H12O4/c1-8-3-6-7(4-9-2)11-5-10-6/h3-5H2,1-2H3
InChIKeyLRJCOUQWMBPTPR-UHFFFAOYSA-N
XLogP0.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-1,3-dioxole?
The IUPAC name of 4,5-bis(methoxymethyl)-1,3-dioxole (CID 141057268) is 4,5-bis(methoxymethyl)-1,3-dioxole.
What is the SMILES notation for 4,5-bis(methoxymethyl)-1,3-dioxole?
The canonical SMILES for 4,5-bis(methoxymethyl)-1,3-dioxole is COCC1=C(COC)OCO1.
What is the InChIKey of 4,5-bis(methoxymethyl)-1,3-dioxole?
The InChIKey is LRJCOUQWMBPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-8-3-6-7(4-9-2)11-5-10-6/h3-5H2,1-2H3.
What are the key properties of 4,5-bis(methoxymethyl)-1,3-dioxole?
4,5-bis(methoxymethyl)-1,3-dioxole has a molecular weight of 160.17 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-1,3-dioxole is sourced from PubChem (CID 141057268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).