2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane

C15H26O6 — CID 91809129

IUPAC2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane
SMILESCC(OCC1CO1)C(COCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C15H26O6/c1-10(17-4-13-7-20-13)15(9-16-3-12-6-19-12)11(2)18-5-14-8-21-14/h10-15H,3-9H2,1-2H3
InChIKeyLUBVNKVHXJEUGJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.63
Rot. Bonds12

About 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane

2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane (PubChem CID 91809129) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane
PubChem CID91809129
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane
SMILESCC(OCC1CO1)C(COCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C15H26O6/c1-10(17-4-13-7-20-13)15(9-16-3-12-6-19-12)11(2)18-5-14-8-21-14/h10-15H,3-9H2,1-2H3
InChIKeyLUBVNKVHXJEUGJ-UHFFFAOYSA-N
XLogP0.63
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.63
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-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane?
The IUPAC name of 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane (CID 91809129) is 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane is CC(OCC1CO1)C(COCC1CO1)C(C)OCC1CO1.
What is the InChIKey of 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane?
The InChIKey is LUBVNKVHXJEUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-10(17-4-13-7-20-13)15(9-16-3-12-6-19-12)11(2)18-5-14-8-21-14/h10-15H,3-9H2,1-2H3.
What are the key properties of 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane?
2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane has a molecular weight of 302.37 g/mol, XLogP of 0.63, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxiran-2-ylmethoxy)-2-[1-(oxiran-2-ylmethoxy)ethyl]butoxy]methyl]oxirane is sourced from PubChem (CID 91809129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).