2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane

C14H26O3 — CID 18622418

IUPAC2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane
SMILESCC1OC1(C)C(C)(C)OC(C)(C)C1(C)OC1C
InChIInChI=1S/C14H26O3/c1-9-13(7,15-9)11(3,4)17-12(5,6)14(8)10(2)16-14/h9-10H,1-8H3
InChIKeyJTHOLCFQDHELCM-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.91
Rot. Bonds4

About 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane

2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane (PubChem CID 18622418) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane
PubChem CID18622418
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane
SMILESCC1OC1(C)C(C)(C)OC(C)(C)C1(C)OC1C
InChIInChI=1S/C14H26O3/c1-9-13(7,15-9)11(3,4)17-12(5,6)14(8)10(2)16-14/h9-10H,1-8H3
InChIKeyJTHOLCFQDHELCM-UHFFFAOYSA-N
XLogP2.91
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.91
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-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane?
The IUPAC name of 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane (CID 18622418) is 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane.
What is the SMILES notation for 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane?
The canonical SMILES for 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane is CC1OC1(C)C(C)(C)OC(C)(C)C1(C)OC1C.
What is the InChIKey of 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane?
The InChIKey is JTHOLCFQDHELCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-9-13(7,15-9)11(3,4)17-12(5,6)14(8)10(2)16-14/h9-10H,1-8H3.
What are the key properties of 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane?
2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane has a molecular weight of 242.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-dimethyloxiran-2-yl)propan-2-yloxy]propan-2-yl]-2,3-dimethyloxirane is sourced from PubChem (CID 18622418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).