2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane

C14H24O6 — CID 3423260

IUPAC2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane
SMILESCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H24O6/c1-14(8-15-2-11-5-18-11,9-16-3-12-6-19-12)10-17-4-13-7-20-13/h11-13H,2-10H2,1H3
InChIKeyYIEBXCCPOCRXRB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.24
Rot. Bonds12

About 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane

2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane (PubChem CID 3423260) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane
PubChem CID3423260
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane
SMILESCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C14H24O6/c1-14(8-15-2-11-5-18-11,9-16-3-12-6-19-12)10-17-4-13-7-20-13/h11-13H,2-10H2,1H3
InChIKeyYIEBXCCPOCRXRB-UHFFFAOYSA-N
XLogP0.24
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane?
The IUPAC name of 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane (CID 3423260) is 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane is CC(COCC1CO1)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane?
The InChIKey is YIEBXCCPOCRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-14(8-15-2-11-5-18-11,9-16-3-12-6-19-12)10-17-4-13-7-20-13/h11-13H,2-10H2,1H3.
What are the key properties of 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane?
2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane has a molecular weight of 288.34 g/mol, XLogP of 0.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane is sourced from PubChem (CID 3423260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).