methane;2-(oxiran-2-ylmethoxymethyl)oxirane

C8H18O3 — CID 167637417

IUPACmethane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC.C.C(OCC1CO1)C1CO1
InChIInChI=1S/C6H10O3.2CH4/c1(5-3-8-5)7-2-6-4-9-6;;/h5-6H,1-4H2;2*1H4
InChIKeyORDKIJYPYNTJCR-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.07
Rot. Bonds4

About methane;2-(oxiran-2-ylmethoxymethyl)oxirane

methane;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 167637417) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is methane;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namemethane;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID167637417
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Namemethane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC.C.C(OCC1CO1)C1CO1
InChIInChI=1S/C6H10O3.2CH4/c1(5-3-8-5)7-2-6-4-9-6;;/h5-6H,1-4H2;2*1H4
InChIKeyORDKIJYPYNTJCR-UHFFFAOYSA-N
XLogP1.07
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396

Frequently Asked Questions

What is the IUPAC name of methane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of methane;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 167637417) is methane;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for methane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for methane;2-(oxiran-2-ylmethoxymethyl)oxirane is C.C.C(OCC1CO1)C1CO1.
What is the InChIKey of methane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is ORDKIJYPYNTJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2CH4/c1(5-3-8-5)7-2-6-4-9-6;;/h5-6H,1-4H2;2*1H4.
What are the key properties of methane;2-(oxiran-2-ylmethoxymethyl)oxirane?
methane;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 162.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 167637417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).