2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane

C12H22O3 — CID 143374467

IUPAC2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane
SMILESCCOCC1OC1(C)CCC1OC1(C)C
InChIInChI=1S/C12H22O3/c1-5-13-8-10-12(4,15-10)7-6-9-11(2,3)14-9/h9-10H,5-8H2,1-4H3
InChIKeyGZCGQDAFDOJJEX-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane

2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane (PubChem CID 143374467) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane
PubChem CID143374467
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane
SMILESCCOCC1OC1(C)CCC1OC1(C)C
InChIInChI=1S/C12H22O3/c1-5-13-8-10-12(4,15-10)7-6-9-11(2,3)14-9/h9-10H,5-8H2,1-4H3
InChIKeyGZCGQDAFDOJJEX-UHFFFAOYSA-N
XLogP2.14
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.14
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-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane?
The IUPAC name of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane (CID 143374467) is 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane.
What is the SMILES notation for 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane?
The canonical SMILES for 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane is CCOCC1OC1(C)CCC1OC1(C)C.
What is the InChIKey of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane?
The InChIKey is GZCGQDAFDOJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-13-8-10-12(4,15-10)7-6-9-11(2,3)14-9/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane?
2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane has a molecular weight of 214.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-(ethoxymethyl)-2-methyloxirane is sourced from PubChem (CID 143374467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).