2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane

C12H22O5 — CID 3034475

IUPAC2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane
SMILESCC(COCC(C)OCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O5/c1-9(14-5-11-7-16-11)3-13-4-10(2)15-6-12-8-17-12/h9-12H,3-8H2,1-2H3
InChIKeyUCLPDTOWSOHLJX-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.61
Rot. Bonds10

About 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane

2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane (PubChem CID 3034475) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane
PubChem CID3034475
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane
SMILESCC(COCC(C)OCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O5/c1-9(14-5-11-7-16-11)3-13-4-10(2)15-6-12-8-17-12/h9-12H,3-8H2,1-2H3
InChIKeyUCLPDTOWSOHLJX-UHFFFAOYSA-N
XLogP0.61
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane (CID 3034475) is 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane is CC(COCC(C)OCC1CO1)OCC1CO1.
What is the InChIKey of 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane?
The InChIKey is UCLPDTOWSOHLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-9(14-5-11-7-16-11)3-13-4-10(2)15-6-12-8-17-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane?
2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane has a molecular weight of 246.30 g/mol, XLogP of 0.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane is sourced from PubChem (CID 3034475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).