2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane

C8H16O3 — CID 539101

IUPAC2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane
SMILESCOCC1(C)OC(C)C(C)O1
InChIInChI=1S/C8H16O3/c1-6-7(2)11-8(3,10-6)5-9-4/h6-7H,5H2,1-4H3
InChIKeyODZZTCWWJGRJNQ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.17
Rot. Bonds2

About 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane

2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane (PubChem CID 539101) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane
PubChem CID539101
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane
SMILESCOCC1(C)OC(C)C(C)O1
InChIInChI=1S/C8H16O3/c1-6-7(2)11-8(3,10-6)5-9-4/h6-7H,5H2,1-4H3
InChIKeyODZZTCWWJGRJNQ-UHFFFAOYSA-N
XLogP1.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane?
The IUPAC name of 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane (CID 539101) is 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane?
The canonical SMILES for 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane is COCC1(C)OC(C)C(C)O1.
What is the InChIKey of 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane?
The InChIKey is ODZZTCWWJGRJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-7(2)11-8(3,10-6)5-9-4/h6-7H,5H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane?
2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane has a molecular weight of 160.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,4,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 539101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).