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

C15H28O6 — CID 19877096

IUPAC2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
SMILESCC(COCC1CO1)OCC(C)OCC(C)OCC1CO1
InChIInChI=1S/C15H28O6/c1-11(4-16-7-14-9-20-14)17-5-12(2)18-6-13(3)19-8-15-10-21-15/h11-15H,4-10H2,1-3H3
InChIKeyFVCHRIQAIOHAIC-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.02
Rot. Bonds13

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

2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane (PubChem CID 19877096) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
PubChem CID19877096
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
SMILESCC(COCC1CO1)OCC(C)OCC(C)OCC1CO1
InChIInChI=1S/C15H28O6/c1-11(4-16-7-14-9-20-14)17-5-12(2)18-6-13(3)19-8-15-10-21-15/h11-15H,4-10H2,1-3H3
InChIKeyFVCHRIQAIOHAIC-UHFFFAOYSA-N
XLogP1.02
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.02
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-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane (CID 19877096) is 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane is CC(COCC1CO1)OCC(C)OCC(C)OCC1CO1.
What is the InChIKey of 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane?
The InChIKey is FVCHRIQAIOHAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-11(4-16-7-14-9-20-14)17-5-12(2)18-6-13(3)19-8-15-10-21-15/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane?
2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane has a molecular weight of 304.38 g/mol, XLogP of 1.02, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane is sourced from PubChem (CID 19877096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).