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

C8H12O3S — CID 88761424

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
SMILESC(OCC1CO1)C1CO1.C1=CS1
InChIInChI=1S/C6H10O3.C2H2S/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-1/h5-6H,1-4H2;1-2H
InChIKeyBKZQCRUTWFOFAF-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.00
Rot. Bonds4

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

2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene (PubChem CID 88761424) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
PubChem CID88761424
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
SMILESC(OCC1CO1)C1CO1.C1=CS1
InChIInChI=1S/C6H10O3.C2H2S/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-1/h5-6H,1-4H2;1-2H
InChIKeyBKZQCRUTWFOFAF-UHFFFAOYSA-N
XLogP1.00
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.00
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

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
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
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
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
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene (CID 88761424) is 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene is C(OCC1CO1)C1CO1.C1=CS1.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene?
The InChIKey is BKZQCRUTWFOFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C2H2S/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-1/h5-6H,1-4H2;1-2H.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene?
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene has a molecular weight of 188.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene is sourced from PubChem (CID 88761424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).