2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

C18H24O5 — CID 87444072

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SMILESC(OCC1CO1)C1CO1.c1cc(CC2CO2)cc(CC2CO2)c1
InChIInChI=1S/C12H14O2.C6H10O3/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12;1(5-3-8-5)7-2-6-4-9-6/h1-4,11-12H,5-8H2;5-6H,1-4H2
InChIKeyRNCJCKLFLJBGCN-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.37
Rot. Bonds8

About 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane (PubChem CID 87444072) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
PubChem CID87444072
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SMILESC(OCC1CO1)C1CO1.c1cc(CC2CO2)cc(CC2CO2)c1
InChIInChI=1S/C12H14O2.C6H10O3/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12;1(5-3-8-5)7-2-6-4-9-6/h1-4,11-12H,5-8H2;5-6H,1-4H2
InChIKeyRNCJCKLFLJBGCN-UHFFFAOYSA-N
XLogP1.37
TPSA59.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[3-(oxiran-2-ylmethyl)phenoxy]phenyl]methyl]oxirane
CID 21289643
2-[(3-tert-butylphenyl)methyl]oxirane
CID 54005410
[3-(oxiran-2-ylmethyl)phenyl] dihydrogen phosphate
CID 175460272
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
N,3-bis(oxiran-2-ylmethyl)aniline
CID 87060762
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane (CID 87444072) is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane is C(OCC1CO1)C1CO1.c1cc(CC2CO2)cc(CC2CO2)c1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The InChIKey is RNCJCKLFLJBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C6H10O3/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12;1(5-3-8-5)7-2-6-4-9-6/h1-4,11-12H,5-8H2;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane has a molecular weight of 320.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane is sourced from PubChem (CID 87444072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).