2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide

C6H10O6S — CID 87769776

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
SMILESC(OCC1CO1)C1CO1.O=S(=O)=O
InChIInChI=1S/C6H10O3.O3S/c1(5-3-8-5)7-2-6-4-9-6;1-4(2)3/h5-6H,1-4H2;
InChIKeyVVWVCIMKOXGDQT-UHFFFAOYSA-N
MW210.21 g/mol
LogP-1.20
Rot. Bonds4

About 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide

2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide (PubChem CID 87769776) has the molecular formula C6H10O6S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
PubChem CID87769776
Molecular FormulaC6H10O6S
Molecular Weight210.21 g/mol
Exact Mass210.02
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
SMILESC(OCC1CO1)C1CO1.O=S(=O)=O
InChIInChI=1S/C6H10O3.O3S/c1(5-3-8-5)7-2-6-4-9-6;1-4(2)3/h5-6H,1-4H2;
InChIKeyVVWVCIMKOXGDQT-UHFFFAOYSA-N
XLogP-1.20
TPSA85.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
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-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione
CID 174688773
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
hexanedial;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 166784173

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide (CID 87769776) is 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide is C(OCC1CO1)C1CO1.O=S(=O)=O.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide?
The InChIKey is VVWVCIMKOXGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.O3S/c1(5-3-8-5)7-2-6-4-9-6;1-4(2)3/h5-6H,1-4H2;.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide?
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide has a molecular weight of 210.21 g/mol, XLogP of -1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide is sourced from PubChem (CID 87769776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).