2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane

C11H20O4 — CID 101275344

IUPAC2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
SMILESCCC(OCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C11H20O4/c1-3-11(15-7-10-6-14-10)8(2)12-4-9-5-13-9/h8-11H,3-7H2,1-2H3
InChIKeyFZPYTUAITZWOIK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.98
Rot. Bonds8

About 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane

2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane (PubChem CID 101275344) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
PubChem CID101275344
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
SMILESCCC(OCC1CO1)C(C)OCC1CO1
InChIInChI=1S/C11H20O4/c1-3-11(15-7-10-6-14-10)8(2)12-4-9-5-13-9/h8-11H,3-7H2,1-2H3
InChIKeyFZPYTUAITZWOIK-UHFFFAOYSA-N
XLogP0.98
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dimethoxy-[3-(oxiran-2-ylmethoxy)pentan-2-yl]silane
CID 173082214
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
2-(oxiran-2-ylmethoxy)hexan-3-amine
CID 163429320
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane
CID 88931342
2-[[4-ethyl-5-(oxiran-2-ylmethoxy)-4-[1-(oxiran-2-ylmethoxy)propyl]heptan-3-yl]oxymethyl]oxirane
CID 87949795
hydroxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173054354
trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
CID 89312307

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane (CID 101275344) is 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane is CCC(OCC1CO1)C(C)OCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane?
The InChIKey is FZPYTUAITZWOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-11(15-7-10-6-14-10)8(2)12-4-9-5-13-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane?
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane has a molecular weight of 216.28 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane is sourced from PubChem (CID 101275344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).