2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole

C8H12O3 — CID 156780470

IUPAC2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole
SMILESCC1(CCC2CO2)OC=CO1
InChIInChI=1S/C8H12O3/c1-8(10-4-5-11-8)3-2-7-6-9-7/h4-5,7H,2-3,6H2,1H3
InChIKeyJSRUFTGZUBKSRC-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole

2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole (PubChem CID 156780470) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole.

Molecular Properties

Compound Name2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole
PubChem CID156780470
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole
SMILESCC1(CCC2CO2)OC=CO1
InChIInChI=1S/C8H12O3/c1-8(10-4-5-11-8)3-2-7-6-9-7/h4-5,7H,2-3,6H2,1H3
InChIKeyJSRUFTGZUBKSRC-UHFFFAOYSA-N
XLogP1.40
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole?
The IUPAC name of 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole (CID 156780470) is 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole.
What is the SMILES notation for 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole?
The canonical SMILES for 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole is CC1(CCC2CO2)OC=CO1.
What is the InChIKey of 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole?
The InChIKey is JSRUFTGZUBKSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(10-4-5-11-8)3-2-7-6-9-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole?
2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole has a molecular weight of 156.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole is sourced from PubChem (CID 156780470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).