2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane

C13H24O4 — CID 57150264

IUPAC2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane
SMILESCCCC(C)(C)C(OCC1CO1)OCC1CO1
InChIInChI=1S/C13H24O4/c1-4-5-13(2,3)12(16-8-10-6-14-10)17-9-11-7-15-11/h10-12H,4-9H2,1-3H3
InChIKeyDEAIOUMASFGNFN-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.97
Rot. Bonds9

About 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane

2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane (PubChem CID 57150264) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane
PubChem CID57150264
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane
SMILESCCCC(C)(C)C(OCC1CO1)OCC1CO1
InChIInChI=1S/C13H24O4/c1-4-5-13(2,3)12(16-8-10-6-14-10)17-9-11-7-15-11/h10-12H,4-9H2,1-3H3
InChIKeyDEAIOUMASFGNFN-UHFFFAOYSA-N
XLogP1.97
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-[[4-ethyl-5-(oxiran-2-ylmethoxy)-4-[1-(oxiran-2-ylmethoxy)propyl]heptan-3-yl]oxymethyl]oxirane
CID 87949795
2-[1-(oxiran-2-yl)butoxymethyl]oxirane
CID 151610662
[4,4-dimethyl-1-(oxiran-2-ylmethoxy)pentyl]-dimethylsilane
CID 173044483
2-[[2,2,4-trimethyl-1-(oxiran-2-ylmethoxy)pentan-3-yl]oxymethyl]oxirane
CID 87149514
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-(1-bromoethoxymethyl)oxirane
CID 20568723
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(oxiran-2-ylmethoxy)propyl-tripropoxysilane
CID 22169298

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane?
The IUPAC name of 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane (CID 57150264) is 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane is CCCC(C)(C)C(OCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane?
The InChIKey is DEAIOUMASFGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-5-13(2,3)12(16-8-10-6-14-10)17-9-11-7-15-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane?
2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane has a molecular weight of 244.33 g/mol, XLogP of 1.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-1-(oxiran-2-ylmethoxy)pentoxy]methyl]oxirane is sourced from PubChem (CID 57150264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).