2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol

C9H18O4 — CID 22222974

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
SMILESC(OCC1CO1)C1CO1.CCCO
InChIInChI=1S/C6H10O3.C3H8O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-4/h5-6H,1-4H2;4H,2-3H2,1H3
InChIKeyYOAPFRFCAHQLCO-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.19
Rot. Bonds5

About 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol

2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol (PubChem CID 22222974) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
PubChem CID22222974
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
SMILESC(OCC1CO1)C1CO1.CCCO
InChIInChI=1S/C6H10O3.C3H8O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-4/h5-6H,1-4H2;4H,2-3H2,1H3
InChIKeyYOAPFRFCAHQLCO-UHFFFAOYSA-N
XLogP0.19
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
2-(propoxymethyl)oxirane
CID 18406

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol (CID 22222974) is 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol is C(OCC1CO1)C1CO1.CCCO.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol?
The InChIKey is YOAPFRFCAHQLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H8O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3-4/h5-6H,1-4H2;4H,2-3H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol?
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol has a molecular weight of 190.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol is sourced from PubChem (CID 22222974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).